SCHEMBL3005488

SCHEMBL3005488

CN(Cc1cc(C(=O)O)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNA1C Q13936 1/20 0.49
TACR1 P25103 12/20 0.46
MRGPRX4 Q96LA9 4/20 0.44
CETP P11597 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SERPINE1 P05121 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
SCHEMBL2935441 0.89 CACNA1G (0.55) CACNA1GCACNA1BCACNA1CTACR1CETP
SCHEMBL29746466 0.84 CACNA1G (0.51) CACNA1GCACNA1BCACNA1CTACR1CETP
SCHEMBL13818149 0.84 CACNA1G (0.51) CACNA1GCACNA1BCACNA1CTACR1CETP
SCHEMBL545966 0.83 CACNA1G (0.50) CACNA1GCACNA1BCACNA1CTACR1CETP
SCHEMBL346774 0.81 MRGPRX4 (0.48) TACR1MRGPRX4SERPINE1
SCHEMBL12481999 0.81 TACR1 (0.44) CACNA1GCACNA1BCACNA1CTACR1MRGPRX4
SCHEMBL6121602 0.79 MRGPRX4 (0.47) TACR1MRGPRX4SERPINE1
Hydrochloric Acid SCHEMBL345549 0.79 MRGPRX4 (0.47) TACR1MRGPRX4SERPINE1
SCHEMBL4830438 0.77 MEN1 (0.49) MRGPRX4MEN1KMT2A
SCHEMBL1243793 0.76 HDAC1 (0.46)

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-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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 (3 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-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 CACNA1G 3195/4885CACNA1B 2839/4885CACNA1C 3632/4885
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 CACNA1G 3195/4885CACNA1B 2839/4885CACNA1C 3632/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 CACNA1G 3195/4885CACNA1B 2839/4885CACNA1C 3632/4885

“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.