SCHEMBL20577929

SCHEMBL20577929

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
KCNA5 P22460 3/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
APAF1 O14727 1/20 0.46
ACP3 P15309 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL8119650 1.00 SIGMAR1 (0.53) SIGMAR1KCNA5CA12CA7CA9
SCHEMBL4851208 1.00 SIGMAR1 (0.53) SIGMAR1KCNA5CA12CA7CA9
SCHEMBL4848433 0.87 KCNA5 (0.50) KCNA5CA12CA7CA9CA14
SCHEMBL17695118 0.86 SIGMAR1 (0.49) SIGMAR1APAF1KMT2AMEN1ALDH1A1
SCHEMBL21209154 0.86 SIGMAR1 (0.49) SIGMAR1APAF1KMT2AMEN1ALDH1A1
SCHEMBL13674818 0.86 POLB (0.49) SIGMAR1KCNA5CA12CA7CA9
SCHEMBL4858585 0.85 KCNA5 (0.49) SIGMAR1KCNA5CA12CA7CA9
SCHEMBL4856680 0.84 KCNA5 (0.46) SIGMAR1KCNA5CA12CA7CA9
SCHEMBL21193183 0.84 SIGMAR1 (0.58) SIGMAR1APAF1ACP3KMT2AMEN1
SCHEMBL4884782 0.84 SIGMAR1 (0.58) SIGMAR1APAF1ACP3KMT2AMEN1

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
EP-3412665-B1 SUVOREXANT INTERMEDIATES AND PREPARATION METHODS THEREOF ZHEJIANG HUAHAI PHARM CO LTD (CN) 2021-03-03 EP disclosed
US-10618891-B2 Suvorexant intermediate and preparation method thereof ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-04-14 US disclosed
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2019-02-07 US disclosed
EP-3412665-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2018-12-12 EP 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-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF COMT, KMO, CYP4B1 SIGMAR1 271/4885KCNA5 512/4885CA12 3344/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 SIGMAR1 271/4885KCNA5 512/4885CA12 3344/4885

“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.