SCHEMBL20578147

SCHEMBL20578147

COC(=O)CC(C)NCc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MAOA P21397 1/20 0.49
SCN9A Q15858 1/20 0.49
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
ANPEP P15144 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL20578148 1.00 MAOB (0.49) MAOBMAOASCN9ACYP2D6CYP2C9
SCHEMBL4851286 0.82 HPGD (0.53) ALDH1A1MEN1KMT2A
SCHEMBL8996609 0.82 SIGMAR1 (0.56) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL8996599 0.82 SIGMAR1 (0.56) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL891954 0.82 SIGMAR1 (0.56) CYP2D6CYP2C9CYP2C19RECQLALDH1A1
SCHEMBL17604065 0.79 MAOB (0.46) MAOBMAOASCN9ACYP2D6ANPEP
SCHEMBL4854236 0.78 MEN1 (0.44) MEN1KMT2A
SCHEMBL16702357 0.77 MEN1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL6237660 0.77 MAOB (0.56) MAOBMAOASCN9AANPEP
SCHEMBL6513442 0.77 MAOB (0.56) MAOBMAOASCN9AANPEP

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 MAOB 46/4885MAOA 155/4885SCN9A 1174/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 MAOB 46/4885MAOA 155/4885SCN9A 1174/4885

“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.