SCHEMBL1012311

SCHEMBL1012311

COc1ccc(Oc2cccc(C=C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
ABCB1 P08183 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
TGFBR1 P36897 2/20 0.43
GRM5 P41594 1/20 0.43
STS P08842 2/20 0.42
HTT P42858 1/20 0.42
OGA O60502 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
FAAH O00519 1/20 0.42
GABRA1 P14867 1/20 0.42
ADRA2C P18825 1/20 0.42
CNR1 P21554 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CNR2 P34972 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
SCHEMBL6396022 0.92 ABCB1 (0.48) ALDH1A1ABCB1KDM4EMAPTGPR119
SCHEMBL1011241 0.92 ESR2 (0.46) ABCB1GPR119ADAMTS5TGFBR1GRM5
SCHEMBL1011417 0.91 ABCB1 (0.44) ALDH1A1ABCB1KDM4EMAPTGPR119
SCHEMBL1011752 0.91 S1PR2 (0.48) ALDH1A1MAPTGPR119GRM5CYP3A4
SCHEMBL27233593 0.90 FAAH (0.42) ALDH1A1ABCB1KDM4EMAPTGPR119
SCHEMBL1011421 0.87 FAAH (0.46) GPR119GRM5CYP3A4CYP2D6FAAH
SCHEMBL15699606 0.85 ALDH1A1 (0.54) ALDH1A1ABCB1KDM4EMAPTGPR119
SCHEMBL27233589 0.84 GPR119 (0.47) MAPTGPR119GRM5HTTOGA
Hydrochloric Acid SCHEMBL4184397 0.83 FAAH (0.47) MAPTGPR119ADAMTS5TGFBR1CYP3A4
SCHEMBL1010576 0.83 FAAH (0.48) GPR119GRM5CYP3A4CYP2D6FAAH

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-8044052-B2 Inhibitors of fatty acid amide hydrolase; N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide; elevate brain anandamide levels; pain, urinary incontinence, cognitive disorders, anxiety, depression, sleeping, eating, movement disorders, glaucoma, psoriasis PFIZER INC. (US) 2011-10-25 US disclosed
EP-2076508-B1 BIARYL ETHER UREA COMPOUNDS PFIZER PROD INC (US) 2011-01-05 EP disclosed
EP-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
US-20080261941-A1 Biaryl Ether Urea Compounds Jazz Pharmaceuticals Therapeutics, Inc. 2008-10-23 US disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 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 (1 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-20080261941-A1 Biaryl Ether Urea Compounds FAAH, FAAH2, LIPC ALDH1A1 360/4885ABCB1 807/4885KDM4E 1643/4885

“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.