SCHEMBL2076196

SCHEMBL2076196

ON=C1CCc2c(c(-c3ccc(Cl)cc3)nn2Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.61
HTR1A P08908 1/20 0.61
HTR2A P28223 1/20 0.61
KCNK3 O14649 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41

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
SCHEMBL2076195 1.00 HTR7 (0.61) HTR7HTR1AHTR2AKCNK3MEN1
SCHEMBL2076494 0.82 HTR7 (0.65) HTR7HTR1AHTR2AKCNK3MEN1
Jnj-18038683 Free Base SCHEMBL2076477 0.76 HTR7 (1.00) HTR7HTR1AHTR2AKCNK3MEN1
SCHEMBL2073913 0.75 HTR7 (0.69) HTR7HTR1AHTR2AKCNK3
SCHEMBL4419022 0.75 HTR7 (0.65) HTR7HTR1AHTR2AKCNK3MEN1
SCHEMBL10804678 0.74 HTR7 (0.64) HTR7HTR1AHTR2AKCNK3
SCHEMBL2074615 0.74 HTR7 (0.64) HTR7HTR1AHTR2AKCNK3
SCHEMBL2981761 0.74 CTSS (0.59) HTR7HTR1A
SCHEMBL2074154 0.74 HTR7 (0.87) HTR7HTR1AHTR2AKCNK3MEN1
SCHEMBL2076624 0.74 HTR7 (0.66) HTR7HTR1AHTR2AKCNK3MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
EP-1668014-B1 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1944306-A1 Fused heterocyclic compounds as serotonin receptor modulators Janssen Pharmaceutica, N.V. (BE) 2008-07-16 EP 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
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 (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-20090270370-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

“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.