SCHEMBL1476291

SCHEMBL1476291

O=C(O)CCCn1nc2c(c1-c1ccc(Cl)cc1)CCNCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.53
HTR2C P28335 14/20 0.53
HTR2B P41595 14/20 0.53
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49
GABRG3 Q99928 1/20 0.49
GABRQ Q9UN88 1/20 0.49
HTR7 P34969 2/20 0.42

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
SCHEMBL1477865 0.97 HTR2A (0.52) HTR2AHTR2CHTR2BGABRPGABRD
SCHEMBL1477776 0.87 HTR2C (0.52) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1475732 0.85 HTR2A (0.56) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL5471279 0.84 HTR2C (0.51) HTR2AHTR2CHTR2BGABRPGABRD
SCHEMBL1475705 0.84 HTR2C (0.51) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1476464 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1477683 0.83 HTR2A (0.60) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL2075962 0.81 HTR7 (0.64) HTR2AGABRPGABRDGABRA1GABRB1
SCHEMBL14230440 0.81 HTR2A (0.60) HTR2AHTR2CHTR2BHTR7HTR1A
SCHEMBL1476282 0.81 HTR2A (0.63) 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 37 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
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
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-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
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 HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR2A 9/4885HTR2C 5/4885HTR2B 13/4885
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

“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.