SCHEMBL1256558

SCHEMBL1256558

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(c2ccccc2)(c2ccc(O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.48
OPRK1 P41145 6/20 0.48
KMT2A Q03164 2/20 0.44
OPRM1 P35372 2/20 0.41
EPHX2 P34913 1/20 0.41
FABP7 O15540 2/20 0.40
FABP5 Q01469 2/20 0.40
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM4 P08173 1/20 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
SCHEMBL28864147 0.83 EPHX2 (0.44) KMT2AEPHX2FABP7FABP5CYP2C19
SCHEMBL119410 0.82 KMT2A (0.49) OPRD1OPRK1KMT2AOPRM1EPHX2
SCHEMBL4873237 0.81 HSD11B1 (0.43) OPRD1OPRK1KMT2AOPRM1FABP7
SCHEMBL16004761 0.80 POLB (0.46) KMT2AEPHX2FABP7FABP5
SCHEMBL22397770 0.80 POLB (0.52) KMT2AEPHX2FABP7FABP5SMN1; SMN2
SCHEMBL13327274 0.80 POLB (0.52) KMT2AEPHX2FABP7FABP5SMN1; SMN2
SCHEMBL25968740 0.79 EPHX2 (0.43) OPRD1KMT2AEPHX2FABP7FABP5
SCHEMBL2348837 0.79 KMT2A (0.47) KMT2AEPHX2FABP7FABP5CYP2C19
SCHEMBL7449064 0.79 FABP5 (0.43) KMT2AEPHX2FABP7FABP5SMN1; SMN2
SCHEMBL27143217 0.78 KMT2A (0.43) KMT2AEPHX2FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 US disclosed
WO-2008033894-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 WO disclosed
WO-2007056500-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-05-18 WO disclosed
US-20060122278-A1 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. 2006-06-08 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 (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-20060122278-A1 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene GPER1, ESR1, ESR2 OPRD1 1667/4885OPRK1 657/4885KMT2A 1328/4885
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 OPRD1 353/4885OPRK1 172/4885KMT2A 2298/4885

“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.