SCHEMBL26330782

SCHEMBL26330782

C[C@H](CC(=O)N1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 15/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CACNA1A O00555 1/20 0.46
▸ CACNA2D1 P54289 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ CACNB1 Q02641 1/20 0.46
▸ CACNA1C Q13936 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
SCHEMBL19403773 1.00 MC4R (0.50) MC4RL3MBTL1ALDH1A1TSHRCACNA1A
SCHEMBL19403746 0.88 L3MBTL1 (0.48) MC4RL3MBTL1CACNA1ACACNA2D1CACNA1B
SCHEMBL26330641 0.88 L3MBTL1 (0.48) MC4RL3MBTL1TSHRCACNA1ACACNA2D1
SCHEMBL26330833 0.88 L3MBTL1 (0.48) MC4RL3MBTL1CACNA1ACACNA2D1CACNA1B
SCHEMBL23549955 0.84 USP2 (0.55) MC4RL3MBTL1ALDH1A1
SCHEMBL19403828 0.84 USP2 (0.55) MC4RL3MBTL1ALDH1A1
SCHEMBL20673507 0.84 MC4R (0.49) MC4RL3MBTL1
SCHEMBL19403753 0.83 MC4R (0.45) MC4RL3MBTL1TSHR
SCHEMBL20673523 0.81 MC4R (0.43) MC4RL3MBTL1TSHR
SCHEMBL3718118 0.77 ADRA1B (0.48) MC4RALDH1A1TSHR

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-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 — — 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-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 MC4R 3428/4885L3MBTL1 3218/4885ALDH1A1 2121/4885

“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.

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