SCHEMBL2076497

SCHEMBL2076497

Clc1ccc(Cn2nc(-c3ccccc3)c3c2CCNCC3)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.91
HTR1A P08908 1/20 0.91
HTR2A P28223 1/20 0.91
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
CTSS P25774 1/20 0.46
MAPT P10636 1/20 0.46

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
Jnj-18038683 Free Base SCHEMBL2076477 0.95 HTR7 (1.00) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL2076810 0.94 HTR7 (0.88) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL2075429 0.92 HTR7 (0.85) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL2076625 0.89 HTR7 (0.80) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL2074337 0.89 HTR7 (0.72) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL2076687 0.88 HTR7 (0.78) HTR7HTR1AHTR2AMEN1KMT2A
SCHEMBL2074642 0.88 HTR7 (0.78) HTR7HTR1AHTR2A
SCHEMBL2076157 0.88 HTR7 (0.78) HTR7HTR1AHTR2ANPSR1ALDH1A1
SCHEMBL2076513 0.88 HTR7 (0.78) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL2076615 0.88 HTR7 (0.78) HTR7HTR1AHTR2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP claimed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US claimed
WO-2008013556-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICAL N.V. (BE) 2008-01-31 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
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-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 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
WO-2008013556-A1 COMBINATION 5-HT7 RECEPTOR ANTAGONIST AND SEROTONIN REUPTAKE INHIBITOR THERAPY JANSSEN PHARMACEUTICAL N.V. (BE) 2008-01-31 WO 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 (4 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 HTR7 17/4885HTR1A 8/4885HTR2A 9/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR7 17/4885HTR1A 8/4885HTR2A 9/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B HTR7 17/4885HTR1A 8/4885HTR2A 9/4885
US-20090275563-A1 Combination of 5-HT7 Receptor Antagonist and Serotonin Reuptake Inhibitor Therapy HTR7, HTR1A, HTR6 HTR7 1/4885HTR1A 2/4885HTR2A 10/4885

“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.