SCHEMBL3918258

SCHEMBL3918258

COc1ccc(F)cc1-c1cc(C(=O)O)c(C)n1CC1CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
TP53 P04637 1/20 0.41
CCNT1 O60563 7/20 0.40
CDK9 P50750 7/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
DHODH Q02127 1/20 0.40
PTGER1 P34995 2/20 0.39
PTGER4 P35408 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
SCHEMBL3920325 0.85 ALDH1A1 (0.47) NOTUMGRIN1GRIN2BTP53CCNT1
SCHEMBL3920319 0.85 ALDH1A1 (0.47) NOTUMGRIN1GRIN2BTP53CCNT1
SCHEMBL13602710 0.85 CNR1 (0.40) NOTUMGRIN1GRIN2BTP53CCNT1
SCHEMBL3918046 0.84 ALDH1A1 (0.50) CNR1CNR2
SCHEMBL3927942 0.83 CNR1 (0.41) GRIN1GRIN2BTP53CCNT1CDK9
SCHEMBL3919213 0.83 PLA2G2A (0.48) NOTUMCNR1CNR2
SCHEMBL3922286 0.82 ALDH1A1 (0.50) CNR1CNR2
SCHEMBL13717348 0.82 CNR1 (0.59) GRIN1GRIN2BTP53CCNT1CDK9
SCHEMBL3919785 0.81 NOTUM (0.50) NOTUMTP53CNR1
SCHEMBL3919596 0.81 NOTUM (0.50) NOTUMCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US claimed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 NOTUM 3125/4885GRIN1 365/4885GRIN2B 608/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 NOTUM 3512/4885GRIN1 392/4885GRIN2B 616/4885

“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.