SCHEMBL4185987

SCHEMBL4185987

CC(CC1CCCCC1)NCc1ccccc1NC(=O)N1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CHRM3 P20309 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL4200148 0.89 MAPT (0.51) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL4186491 0.89 CTSS (0.46) KDM4EALDH1A1HSD17B10GAAKMT2A
SCHEMBL4199612 0.89 POLB (0.41) KDM4EALDH1A1HSD17B10GAATAAR1
SCHEMBL4195525 0.88 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL4202203 0.86 KMT2A (0.49) KDM4EALDH1A1HSD17B10GAAKMT2A
SCHEMBL4192826 0.86 MAPT (0.45) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL4197733 0.84 ALDH1A1 (0.48) ALDH1A1GAAKMT2AMEN1
SCHEMBL4190300 0.84 PKM (0.49) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL4202147 0.83 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL4192534 0.83 TRPV1 (0.43) KDM4EALDH1A1HSD17B10GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1432714-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-06 EP claimed
CN-101203504-A Antimicrobial agents RANBAXY LAB LTD (IN) 2008-06-18 CN claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
CN-101203504-B Antimicrobial agents RANBAXY LAB LTD 2012-11-14 CN disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US disclosed
CN-101203504-A Antimicrobial agents RANBAXY LAB LTD (IN) 2008-06-18 CN disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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 (1 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 KDM4E 3328/4885ALDH1A1 2744/4885HSD17B10 2205/4885

“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.