SCHEMBL2077052

SCHEMBL2077052

CC1CN(Cc2ccccc2)CCc2c1nn(C(C)C)c2-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.46
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR7 P34969 1/20 0.43
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38

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
SCHEMBL1475971 0.82 HTR2A (0.58) TACR1HTR2AHTR2CHTR2BHTR7
SCHEMBL2074166 0.81 HTR2A (0.54) TACR1HTR2AHTR2CHTR2BHTR7
SCHEMBL5111348 0.79 TACR1 (0.47) TACR1DRD4DRD2BCHEACHE
SCHEMBL2075389 0.75 TACR1 (0.38) TACR1DRD4DRD2
SCHEMBL1475795 0.74 HTR2A (0.56) HTR2AHTR2CHTR2BHTR7
SCHEMBL2075460 0.73 HTR2A (0.55) HTR2AHTR2CHTR2BHTR7ACHE
SCHEMBL1476310 0.73 HTR2A (0.54) HTR2AHTR2CHTR2BHTR7
SCHEMBL2076289 0.72 HTR2A (0.65) HTR2AHTR2CHTR2BHTR7
SCHEMBL2076569 0.72 HTR2A (0.53) HTR2AHTR2CHTR2BHTR7DRD4
SCHEMBL14693889 0.70 HTR2A (0.53) HTR2AHTR2CHTR2BHTR7

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-20090275563-A1 Combination of 5-HT7 Receptor Antagonist and Serotonin Reuptake Inhibitor Therapy BONAVENTURE PASCAL 2009-11-05 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
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
JP-2007505908-A 2007-03-15 JP claimed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP claimed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 WO 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-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
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
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP 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 (2 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-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B TACR1 259/4885HTR2A 9/4885HTR2C 5/4885
US-20090275563-A1 Combination of 5-HT7 Receptor Antagonist and Serotonin Reuptake Inhibitor Therapy HTR7, HTR1A, HTR6 TACR1 82/4885HTR2A 10/4885HTR2C 9/4885

“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.