SCHEMBL2005145

SCHEMBL2005145

O=CNCCCc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.61
HRH4 Q9H3N8 15/20 0.61
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL2000034 0.89 HRH4 (0.59) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL24340664 0.80 HRH3 (0.58) HRH3HRH4
SCHEMBL1533674 0.78
SCHEMBL19001254 0.77 HRH4 (0.90) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL8963886 0.77 HRH3 (0.75) HRH3HRH4
SCHEMBL8964986 0.77 HRH3 (0.79) HRH3HRH4
SCHEMBL12216019 0.77 HRH3 (0.79) HRH3HRH4MEN1ALDH1A1MAPT
SCHEMBL8963957 0.75 HRH3 (0.80) HRH3HRH4
SCHEMBL2011526 0.74
SCHEMBL5512404 0.73 QPCT (0.58) HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US 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 (5 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 HRH3 526/4885HRH4 773/4885MEN1 4787/4885
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A HRH3 2984/4885HRH4 2305/4885MEN1 166/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885MEN1 1737/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885MEN1 116/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A HRH3 2984/4885HRH4 2305/4885MEN1 166/4885

“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.