SCHEMBL1474558

SCHEMBL1474558

COc1cc(Cn2nc3c(c2-c2ccc(Cl)cc2)CCNCC3)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.52
HTR2B P41595 15/20 0.52
HTR2A P28223 14/20 0.52
HTR7 P34969 3/20 0.44
HTR1A P08908 1/20 0.44
TGFBR1 P36897 2/20 0.39
ACVR1B P36896 1/20 0.39
ACVR1 Q04771 1/20 0.39
KCNH2 Q12809 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
SCHEMBL1476212 0.85 HTR2C (0.49) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL2077015 0.82 HTR7 (0.68) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL1475739 0.82 HTR2C (0.53) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL1476677 0.81 HTR2C (0.59) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL1475046 0.81 HTR2A (0.65) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL1477936 0.78 HTR2C (0.53) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL2074756 0.78 KDM1A (0.44)
SCHEMBL1476402 0.77 HTR2A (0.50) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL1476628 0.77 HTR2A (0.75) HTR2CHTR2BHTR2AHTR7HTR1A
SCHEMBL2077369 0.75 HTR2C (0.52) HTR2CHTR2BHTR2AHTR7HTR1A

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 40 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-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US 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-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-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-7915404-B2 Methods for the preparation of pyrazole-containing compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP disclosed
WO-2007131153-A2 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
US-20070260057-A1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 US disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 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 (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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B HTR2C 5/4885HTR2B 13/4885HTR2A 9/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2C 5/4885HTR2B 13/4885HTR2A 9/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2C 5/4885HTR2B 13/4885HTR2A 9/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2C 5/4885HTR2B 13/4885HTR2A 9/4885
US-20070260057-A1 METHODS FOR THE PREPARATION OF PYRAZOLE-CONTAINING COMPOUNDS HTR3C, HTR3A, HTR3B HTR2C 8/4885HTR2B 14/4885HTR2A 16/4885

“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.