SCHEMBL3759380

SCHEMBL3759380

CCOC(=O)c1cc(-c2ccc([C@@H](O)C(F)F)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 7/20 0.51
P2RY14 Q15391 10/20 0.50
DRD1 P21728 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP2C9 P11712 1/20 0.46
TSPO P30536 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR1B P28222 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46

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
SCHEMBL2930789 0.89 TMEM97 (0.51) TMEM97P2RY14DRD1SIGMAR1CYP2C9
SCHEMBL3746870 0.89 GRM2 (0.41) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL3755119 0.86 TMEM97 (0.39) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL3260732 0.86 TMEM97 (0.39) TMEM97P2RY14DRD1SIGMAR1
SCHEMBL2927418 0.86 TMEM97 (0.46) TMEM97P2RY14DRD1SIGMAR1CYP2C9
SCHEMBL3761498 0.85 P2RY14 (0.61) TMEM97P2RY14DRD1SIGMAR1CYP2C9
SCHEMBL3762664 0.82 P2RY14 (0.53) TMEM97P2RY14DRD1SIGMAR1CYP2C9
SCHEMBL3056960 0.80 TMEM97 (0.50) TMEM97P2RY14DRD1SIGMAR1CYP2C9
SCHEMBL27214142 0.79 P2RY14 (0.74) TMEM97P2RY14DRD1SIGMAR1CHRM5
SCHEMBL2935252 0.79 P2RY14 (0.67) TMEM97P2RY14DRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 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 (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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 TMEM97 143/4885P2RY14 423/4885DRD1 3386/4885

“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.