SCHEMBL2075972

SCHEMBL2075972

ClC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
TAAR1 Q96RJ0 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.32
SLC18A2 Q05940 1/20 0.32
ANPEP P15144 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL506238 0.81 LMNA (0.37) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL4869728 0.79 EPHX1 (0.44) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL300073 0.79 EPHX1 (0.35) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL1155558 0.77 TRPA1 (0.38) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL3748652 0.77 TRPA1 (0.40) EPHX1CYP1A2ANPEP
SCHEMBL938718 0.77 EPHX1 (0.37) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL406396 0.77 MIF (0.39) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL1461890 0.76 EPHX1 (0.41) EPHX1CYP1A2
SCHEMBL3555963 0.76 EPHX1 (0.38) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1
SCHEMBL1464588 0.76 CTSC (0.36) EPHX1TAAR1SLC6A2SLC6A4SIGMAR1

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 13 patents. 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 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-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
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 EPHX1 1702/4885TAAR1 180/4885SLC6A2 53/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B EPHX1 1702/4885TAAR1 180/4885SLC6A2 53/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B EPHX1 1702/4885TAAR1 180/4885SLC6A2 53/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B EPHX1 1702/4885TAAR1 180/4885SLC6A2 53/4885

“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.