SCHEMBL1455876

SCHEMBL1455876

Cc1ccc2c(c1)C(CCCCO)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.47
NQO2 P16083 3/20 0.45
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
ADRA1A P35348 2/20 0.41
HTR6 P50406 2/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
PGR P06401 1/20 0.39

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
SCHEMBL1455904 0.83 HTR7 (0.60) HTR7NQO2DRD2DRD1HTR2A
SCHEMBL18025759 0.82 NQO2 (0.43) HTR7NQO2DRD2DRD1HTR2A
SCHEMBL1455935 0.79 HTR7 (0.43) HTR7NQO2DRD2DRD1HTR2A
SCHEMBL1456203 0.79 IDO1 (0.64) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL24019919 0.79 PGR (0.57) NQO2TP53POLBMAPTIDO1
SCHEMBL2988866 0.79 PGR (0.57) NQO2TP53POLBMAPTIDO1
SCHEMBL14484522 0.77 NQO2 (0.44) NQO2TP53POLBMAPTPGR
SCHEMBL1456741 0.74 HTR7 (0.55) HTR7NQO2DRD2DRD1HTR2A
SCHEMBL319056 0.74 IDO1 (0.66) HTR7DRD2DRD1HTR2AHTR2C
SCHEMBL4612270 0.72 HTR7 (0.78) HTR7DRD2DRD1HTR2AHTR2C

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910591-B2 e.g. 3-[4-(4-Pyridine-2-yl-piperazine-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one; serotonin 5-HT7 and alpha 1 receptors modulator; antxiolytic agent, antidepressant; neurodegenerative diseases; schizophrenia, Alzheimer's disease, stroke, dementias; side effect reduction EGIS GYOGYSZERGYAR NYRT. (HU) 2011-03-22 US disclosed
US-20090306144-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS VOLK BALAZS 2009-12-10 US disclosed
EP-1751106-B1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYOGYSZERGYAR NYRT (HU) 2008-10-29 EP disclosed
US-20080161323-A1 Piperazine Derivatives of Alkyl Oxindoles EGIS GYOGYSZERGYAR RT. (HU) 2008-07-03 US disclosed
US-20070265300-A1 Pyridine Derivatives of Alkyl Oxindoles as 5-Ht7 Receptor Active Agents EGIS GYOGYSZERGYAR RT. (HU) 2007-11-15 US disclosed
US-20070219209-A1 Piperazine Derivatives Of Alkyl Oxindoles GYÓGYSZERGYÁR RT. (HU) 2007-09-20 US disclosed
EP-1751106-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
EP-1751134-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
EP-1751105-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS Gyógyszergyár Nyrt (HU) 2007-02-14 EP disclosed
WO-2005108364-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 WO disclosed
WO-2005108363-A1 PIPERAZINE DERIVATIVES OF ALKYL OXINDOLES EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 WO disclosed
WO-2005108388-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS EGIS GYÓGYSZERGYÁR NYRT. (HU) 2005-11-17 WO 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-20090306144-A1 PYRIDINE DERIVATIVES OF ALKYL OXINDOLES AS 5-HT7 RECEPTOR ACTIVE AGENTS HTR7, HTR2C, HTR1A HTR7 1/4885NQO2 1142/4885DRD2 68/4885
US-20070219209-A1 Piperazine Derivatives Of Alkyl Oxindoles TPH2, TPH1, HTR2C HTR7 30/4885NQO2 1163/4885DRD2 25/4885
US-20070265300-A1 Pyridine Derivatives of Alkyl Oxindoles as 5-Ht7 Receptor Active Agents HTR7, HTR2C, HTR1A HTR7 1/4885NQO2 678/4885DRD2 55/4885
US-20080161323-A1 Piperazine Derivatives of Alkyl Oxindoles TPH2, CNR2, HTR5A HTR7 25/4885NQO2 1507/4885DRD2 28/4885

“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.