SCHEMBL1134830

SCHEMBL1134830

Fc1ccc(-c2[c]cccc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
NOTUM Q6P988 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TOP1 P11387 1/20 0.33
GPR68 Q15743 1/20 0.31
NPY5R Q15761 1/20 0.30
CHRNB2 P17787 1/20 0.30

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
SCHEMBL4831885 0.83 PTGS2 (0.42) CYP1A2RAB9AKMO
SCHEMBL5327938 0.83 ACHE (0.39) CYP1A2RAB9A
SCHEMBL5326217 0.83 ACHE (0.39) ALDH1A1RAB9AKMOMAPT
SCHEMBL1134861 0.82
SCHEMBL5330919 0.79 CNR2 (0.44) CYP11B1CYP11B2
SCHEMBL5327982 0.79 CYP11B2 (0.50) CYP11B1CYP11B2
SCHEMBL5321545 0.79 PTGS2 (0.46) KDM4EALDH1A1MAPK1RAB9ACYP17A1
SCHEMBL27627863 0.78 KDM1A (0.38) MAOBCYP17A1CYP11B1CYP11B2GPR68
SCHEMBL694755 0.77 ACHE (0.34) KDM4EALDH1A1RAB9A
SCHEMBL2112958 0.76 TAAR1 (0.42) MAOBNOTUMHSD17B1HSD17B2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471016-B2 Process for the preparation of chiral beta amino carboxamide derivatives SUN PHARMACEUTICAL INDUSTRIES LTD. 2013-06-25 US claimed
EP-2566843-A2 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES Sun Pharmaceutical Industries Limited (IN) 2013-03-13 EP claimed
US-20130041150-A1 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2013-02-14 US claimed
WO-2011135586-A2 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2011-11-03 WO claimed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO claimed
CN-104789111-B Oligoaniline compound 日产化学工业株式会社 2018-05-01 CN disclosed
CN-104821375-B Oligoaniline compound 日产化学工业株式会社 2018-03-02 CN disclosed
US-8946479-B2 Process for preparation of 4-fluoro-α-[2methyl-l-oxopropyl]-γ-oxo—N—β-diphenylbenzene butane amide VIJAYASRI ORGANICS LIMITED (IN) 2015-02-03 US disclosed
US-20130184493-A1 PROCESS FOR PREPARATION OF 4-FLUORO-alpha-[2METHYL-L-OXOPROPYL]-gamma-OXO-N-beta-DIPHENYLBENZENE BUTANE AMIDE VIJAYASRI ORGANICS LIMITED (IN) 2013-07-18 US disclosed
EP-2285779-B1 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-03-27 EP disclosed
EP-2285779-A1 METHOD FOR MANUFACTURING ARYL CARBOXAMIDES BASF SE (DE) 2011-02-23 EP disclosed
WO-2009135860-A1 METHOD FOR MANUFACTURING ARYL CARBOXAMIDES BASF SE (DE) 2009-11-12 WO disclosed
WO-2007135529-A2 AZABENZIMIDAZOLYL COMPOUNDS AS MGLUR2 POTENTIATORS PFIZER PRODUCTS INC. (US) 2007-11-29 WO disclosed
WO-2007135527-A2 BENZIMIDAZOLYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-29 WO 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-20130184493-A1 PROCESS FOR PREPARATION OF 4-FLUORO-alpha-[2METHYL-L-OXOPROPYL]-gamma-OXO-N-beta-DIPHENYLBENZENE BUTANE AMIDE BCKDK, FNTB, HMGCR MAOB 608/4885NOTUM 254/4885HSD17B1 281/4885
US-20130041150-A1 PROCESS FOR THE PREPARATION OF CHIRAL BETA AMINO CARBOXAMIDE DERIVATIVES BCAT2, BCAT1, SUCLA2 MAOB 185/4885NOTUM 979/4885HSD17B1 1490/4885

“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.