SCHEMBL4854043

SCHEMBL4854043

COC(=O)CC(C)NCc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.48
DPP8 Q6V1X1 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
KCNH2 Q12809 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL20578245 1.00 DPP7 (0.48) DPP7DPP8MEN1KMT2AMAPT
SCHEMBL16839758 0.87 MAPT (0.54) DPP7DPP8MEN1KMT2AMAPT
SCHEMBL4855884 0.86 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2CYP2C19CYP2D6
SCHEMBL4855981 0.85 DPP7 (0.50) DPP7DPP8MEN1KMT2AMAPT
SCHEMBL20578308 0.84 L3MBTL1 (0.51) MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL20578306 0.84 L3MBTL1 (0.51) MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL4851286 0.84 HPGD (0.53) MEN1KMT2AMAPTTSHRGAA
SCHEMBL4886566 0.84 DPP7 (0.50) DPP7DPP8MEN1KMT2AKCNH2
SCHEMBL891954 0.84 SIGMAR1 (0.56) MEN1KMT2AMAPTRAB9ACYP2C19
SCHEMBL8996609 0.84 SIGMAR1 (0.56) MEN1KMT2AMAPTRAB9ACYP2C19

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 8 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
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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 (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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 DPP7 1169/4885DPP8 2176/4885MEN1 3529/4885
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF COMT, KMO, CYP4B1 DPP7 1171/4885DPP8 1859/4885MEN1 1102/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 DPP7 1171/4885DPP8 1859/4885MEN1 1102/4885

“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.