SCHEMBL2074302

SCHEMBL2074302

CC(C)(C)OC(=O)N1CCc2c(-c3ccccc3)cn(Cc3ccccc3)c2CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
UCHL1 P09936 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
STS P08842 1/20 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
SCHEMBL2075750 0.94 VEGFA (0.45) OPRD1OPRK1HDAC1HDAC6
SCHEMBL2074439 0.93 HDAC1 (0.52) OPRD1OPRK1HDAC1HDAC6UCHL1
SCHEMBL2073488 0.91 MAPK1 (0.44) OPRD1OPRK1HDAC1HDAC6STS
SCHEMBL2076946 0.87 HDAC1 (0.51) OPRD1OPRK1HDAC1HDAC6UCHL1
SCHEMBL2076837 0.85 HDAC1 (0.47) OPRD1OPRK1HDAC1HDAC6
SCHEMBL2074547 0.85 OPRD1 (0.42) OPRD1OPRK1HDAC1HDAC6GPR119
SCHEMBL2076002 0.84 HDAC1 (0.46) HDAC1HDAC6
SCHEMBL2075854 0.79 HDAC1 (0.47) OPRD1OPRK1HDAC1HDAC6
SCHEMBL20596543 0.77 HDAC1 (0.45) OPRD1OPRK1HDAC1HDAC6
SCHEMBL2076077 0.75 HDAC1 (0.48) OPRD1OPRK1HDAC1HDAC6GPR119

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 11 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
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 OPRD1 136/4885OPRK1 59/4885HDAC1 560/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B OPRD1 136/4885OPRK1 59/4885HDAC1 560/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B OPRD1 136/4885OPRK1 59/4885HDAC1 560/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B OPRD1 136/4885OPRK1 59/4885HDAC1 560/4885

“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.