SCHEMBL1474770

SCHEMBL1474770

Clc1ccc(-c2c3c(nn2Cc2cccs2)CCNCC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.53
HTR2C P28335 15/20 0.53
HTR2B P41595 15/20 0.53
HTR7 P34969 4/20 0.45
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL1475744 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1475046 0.82 HTR2A (0.65) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL2073987 0.81 HTR7 (0.70) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1477714 0.78 HTR2C (0.54) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1476628 0.78 HTR2A (0.75) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1476677 0.78 HTR2C (0.59) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL2075830 0.78 HTR2A (0.56) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1476367 0.77 HTR2C (0.56) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1477921 0.77 HTR2C (0.53) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL12776495 0.77 HTR2A (0.53) HTR2AHTR2CHTR2BHTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP claimed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US claimed
EP-2016064-B1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-03-03 EP claimed
US-20090275563-A1 Combination of 5-HT7 Receptor Antagonist and Serotonin Reuptake Inhibitor Therapy BONAVENTURE PASCAL 2009-11-05 US claimed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US claimed
EP-2052251-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-29 EP claimed
EP-2016064-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2009-01-21 EP claimed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US claimed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP claimed
WO-2008013556-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICAL N.V. (BE) 2008-01-31 WO claimed
WO-2007131153-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO claimed
US-20070260057-A1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US claimed
EP-2052251-B1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICA NV (BE) 2019-08-07 EP disclosed
US-8883808-B2 Combination of 5-HT7 receptor antagonist and serotonin reuptake inhibitor therapy JANSSEN PHARMACEUTICA N.V. (BE) 2014-11-11 US disclosed
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
EP-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 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 (8 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-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 HTR2A 78/4885HTR2C 65/4885HTR2B 203/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HTR2A 140/4885HTR2C 158/4885HTR2B 366/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A HTR2A 16/4885HTR2C 34/4885HTR2B 61/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
US-20070260057-A1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS HTR3C, HTR3A, HTR3B HTR2A 16/4885HTR2C 8/4885HTR2B 14/4885
US-20090275563-A1 Combination of 5-HT7 Receptor Antagonist and Serotonin Reuptake Inhibitor Therapy HTR7, HTR1A, HTR6 HTR2A 10/4885HTR2C 9/4885HTR2B 7/4885

“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.