SCHEMBL1477232

SCHEMBL1477232

CCn1nc2c(c1-c1ccc(N(C)C)cc1)CCNCC2

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.71
HTR2B P41595 18/20 0.71
HTR2A P28223 17/20 0.71
HTR7 P34969 1/20 0.47
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1477357 0.85 HTR2A (0.77) HTR2CHTR2BHTR2AHTR7
SCHEMBL1476628 0.84 HTR2A (0.75) HTR2CHTR2BHTR2AHTR7
SCHEMBL1476517 0.84 HTR2C (0.75) HTR2CHTR2BHTR2AHTR7
SCHEMBL1475870 0.84 HTR2A (0.75) HTR2CHTR2BHTR2AHTR7
SCHEMBL1475874 0.83 HTR2C (1.00) HTR2CHTR2BHTR2AHTR7
SCHEMBL1476951 0.83 HTR2C (0.73) HTR2CHTR2BHTR2AHTR7
SCHEMBL1475214 0.82 HTR2A (0.71) HTR2CHTR2BHTR2AHTR7
SCHEMBL1476578 0.82 HTR2A (0.71) HTR2CHTR2BHTR2AHTR7
SCHEMBL2076640 0.81 HTR2C (0.75) HTR2CHTR2BHTR2AHTR7
SCHEMBL1477555 0.81 HTR2C (0.70) HTR2CHTR2BHTR2AHTR7

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 39 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
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
EP-1905774-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-04-02 EP 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
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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-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.