SCHEMBL10151543

SCHEMBL10151543

CCCCO[C@H]1CCCC[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GBA1 P04062 2/20 0.35
PPP5C P53041 1/20 0.35
OPRM1 P35372 3/20 0.34
OPRK1 P41145 2/20 0.33
OPRD1 P41143 1/20 0.33
TSHR P16473 1/20 0.32
CYP19A1 P11511 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL14018563 1.00 CYP1A2 (0.35) CYP1A2SMN1; SMN2GBA1PPP5COPRM1
SCHEMBL10160046 1.00 CYP1A2 (0.35) CYP1A2SMN1; SMN2GBA1PPP5COPRM1
SCHEMBL14017758 0.96 SMN1; SMN2 (0.35) CYP1A2SMN1; SMN2GBA1PPP5COPRM1
SCHEMBL18102782 0.96 SMN1; SMN2 (0.35) CYP1A2SMN1; SMN2GBA1PPP5COPRM1
SCHEMBL17266376 0.96 SMN1; SMN2 (0.35) CYP1A2SMN1; SMN2GBA1PPP5COPRM1
SCHEMBL16656747 0.96 SMN1; SMN2 (0.35) CYP1A2SMN1; SMN2GBA1PPP5COPRM1
SCHEMBL15033397 0.87 CYP19A1 (0.33) CYP1A2CYP19A1
SCHEMBL15424813 0.87 CYP19A1 (0.33) CYP1A2CYP19A1
SCHEMBL3179314 0.87 CYP1A2 (0.41) CYP1A2SMN1; SMN2GBA1PPP5COPRM1
SCHEMBL20995941 0.82 SMN1; SMN2 (0.40) CYP1A2SMN1; SMN2GBA1PPP5COPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 CYP1A2 94/4885SMN1; SMN2 2468/4885GBA1 557/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CYP1A2 1691/4885SMN1; SMN2 1960/4885GBA1 1547/4885

“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.