SCHEMBL20673545

SCHEMBL20673545

C[C@H](CC(=O)N1CCNCC1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CACNA1A O00555 2/20 0.50
▸ CACNA2D1 P54289 2/20 0.50
▸ CACNB1 Q02641 2/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ HRH3 Q9Y5N1 5/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ USP7 Q93009 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ USP19 O94966 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ME2 P23368 1/20 0.41
▸ ME1 P48163 1/20 0.41
▸ ME3 Q16798 1/20 0.41
▸ CACNA1H O95180 1/20 0.41

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
SCHEMBL19403856 1.00 L3MBTL1 (0.52) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL19403774 0.78 CCR3 (0.52) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL4272470 0.77 HRH3 (0.63) L3MBTL1POLBHRH3HPGDME2
SCHEMBL19403746 0.77 L3MBTL1 (0.48) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL26330641 0.77 L3MBTL1 (0.48) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL26330833 0.77 L3MBTL1 (0.48) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL19403775 0.77 L3MBTL1 (0.47) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL26330782 0.77 MC4R (0.50) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL19403773 0.77 MC4R (0.50) L3MBTL1CACNA1ACACNA2D1CACNB1CACNA1B
SCHEMBL543190 0.76 KCNH2 (0.42) L3MBTL1HRH3DPP4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186963-A1 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) 2021-06-24 — — US disclosed
US-20190022093-A1 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) 2019-01-24 — — 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 (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-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 L3MBTL1 3315/4885CACNA1A 3042/4885CACNA2D1 4666/4885
US-20190022093-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 L3MBTL1 3217/4885CACNA1A 3186/4885CACNA2D1 4712/4885

“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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