SCHEMBL3334062

SCHEMBL3334062

NCC1(CN)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.61
CYP3A4 P08684 2/20 0.61
HSD17B10 Q99714 1/20 0.61
OPRL1 P41146 2/20 0.57
ALDH1A1 P00352 2/20 0.56
CYP2C9 P11712 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
OPRM1 P35372 1/20 0.53
MC4R P32245 1/20 0.52
CYP2D6 P10635 2/20 0.51
CCR3 P51677 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
DRD4 P21917 1/20 0.50
GAA P10253 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4630842 0.91 POLB (0.57) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL20571382 0.90 CYP3A4 (0.54) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL6079469 0.90 POLB (0.59) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL14902488 0.89 GAA (0.58) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL22050107 0.87 CYP3A4 (0.51) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL4506264 0.85 POLB (0.51) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL7253609 0.85 CYP3A4 (0.49) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL1586461 0.84 CYP3A4 (0.59) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL7249469 0.83 CYP3A4 (0.51) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1
SCHEMBL7249627 0.83 MAPK1 (0.50) SIGMAR1CYP3A4HSD17B10OPRL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303372-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BHAMAS LTD. (BS) 2014-10-09 US disclosed
US-8722887-B2 Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-HT6 antagonists Abbvie Bahamas, Ltd. (BS) 2014-05-13 US disclosed
US-8722887-B2 Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-HT6 antagonists Abbvie Bahamas, Ltd. (BS) 2014-05-13 US disclosed
US-8722887-B2 Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-HT6 antagonists Abbvie Bahamas, Ltd. (BS) 2014-05-13 US disclosed
CN-101679279-B Sulfonylpyrazole and sulfonylpyrazoline carboxamidine derivatives as 5-ht6 antagonists SOLVAY PHARM BV 2013-11-13 CN disclosed
EP-2069310-B1 SULFONYLPYRAZOLINE-1-CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-12-14 EP disclosed
EP-2069310-B1 SULFONYLPYRAZOLINE-1-CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-12-14 EP disclosed
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. 2010-06-10 US disclosed
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. 2010-06-10 US disclosed
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. 2010-06-10 US disclosed
US-7728018-B2 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-01 US disclosed
CN-101679279-A As 5-HT 6The sulphonyl pyrazoline carboxamidine derivatives of antagonist SOLVAY PHARM BV 2010-03-24 CN disclosed
EP-2069310-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS Solvay Pharmaceuticals B.V. (NL) 2009-06-17 EP disclosed
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders ABBOTT HOSPITALS LIMITED (BS) 2008-12-18 US disclosed
WO-2008034863-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-03-27 WO disclosed
WO-2008034863-A2 SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2008-03-27 WO disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080311179-A1 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders HTR6, HCRTR2, HTR2C SIGMAR1 723/4885CYP3A4 435/4885HSD17B10 849/4885
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A SIGMAR1 2719/4885CYP3A4 344/4885HSD17B10 915/4885
US-20100145042-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 SIGMAR1 362/4885CYP3A4 163/4885HSD17B10 2152/4885
US-20140303372-A1 SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 SIGMAR1 362/4885CYP3A4 163/4885HSD17B10 2152/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.