SCHEMBL13136015

SCHEMBL13136015

CCc1ccc(C(F)(F)F)nc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.46
TRPV1 Q8NER1 1/20 0.42
PDE4B Q07343 1/20 0.39
PTGS2 P35354 11/20 0.38
PTGS1 P23219 5/20 0.38
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL17986246 0.88 MBOAT4 (0.45) MBOAT4TRPV1PDE4BPTGS2TUBB4A
SCHEMBL2528780 0.84 MBOAT4 (0.48) MBOAT4TRPV1PDE4B
SCHEMBL13757105 0.84 MBOAT4 (0.45) MBOAT4TRPV1PDE4BPTGS2TUBB4A
SCHEMBL4472362 0.84 MBOAT4 (0.45) MBOAT4TRPV1PDE4BTUBB4ATUBB
SCHEMBL23287266 0.84 MBOAT4 (0.45) MBOAT4TRPV1PDE4BTUBB4ATUBB
SCHEMBL25510950 0.83 MBOAT4 (0.41) MBOAT4TRPV1PTGS2PTGS1
SCHEMBL3552064 0.82 TRPV1 (0.43) MBOAT4TRPV1PDE4BPTGS1TUBB4A
SCHEMBL12993561 0.81 MBOAT4 (0.44) MBOAT4TRPV1
SCHEMBL27181500 0.81 MBOAT4 (0.46) MBOAT4TRPV1PDE4B
SCHEMBL2129756 0.81 MBOAT4 (0.49) MBOAT4TRPV1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 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-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R MBOAT4 252/4885TRPV1 155/4885PDE4B 1117/4885

“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.