SCHEMBL12062179

SCHEMBL12062179

C[C@H](c1ccccc1)N(C)C(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.56
▸ ALOX5 P09917 1/20 0.49
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ LIMK2 P53671 2/20 0.43
▸ AOC3 Q16853 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL17882265 0.84 RIPK1 (0.55) MTORALOX5GAACYP2C19KDM4E
SCHEMBL13223532 0.82 ROCK2 (0.40) MTORGAACYP3A4CYP2C9CYP2C19
SCHEMBL13223555 0.80 RIPK1 (0.45) SMN1; SMN2ALDH1A1RIPK1LMNA
Benzene SCHEMBL28986126 0.80 MTOR (0.62) MTORALOX5GAAMEN1KMT2A
SCHEMBL1520362 0.80 MTOR (0.62) MTORALOX5GAAMEN1KMT2A
SCHEMBL12050590 0.80 ALOX5 (0.47) MTORALOX5MEN1KMT2ACYP3A4
SCHEMBL12990640 0.80 ALOX5 (0.47) MTORALOX5MEN1KMT2ACYP3A4
SCHEMBL30034373 0.79 MTOR (0.53) MTORALOX5GAALIMK2RIPK1
SCHEMBL21798473 0.79 MTOR (0.53) MTORALOX5GAALIMK2RIPK1
SCHEMBL12830195 0.79 MTOR (0.61) MTORALOX5GAAKDM4ELIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 — — US disclosed
US-7851464-B2 Spirolactam aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-12-14 — — US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 — — 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-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 MTOR 933/4885ALOX5 1069/4885GAA 1652/4885
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL MTOR 2827/4885ALOX5 2512/4885GAA 3419/4885
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists CALCRL, BDKRB1, CALCR MTOR 2313/4885ALOX5 2377/4885GAA 3088/4885

“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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