SCHEMBL4189938

SCHEMBL4189938

CC(CC1CCOCC1)NCc1ccccc1N(C(=O)O)c1cc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.36
CTSK P43235 2/20 0.35
TACR2 P21452 5/20 0.34
OPRM1 P35372 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPY2R P49146 1/20 0.32
FFAR2 O15552 1/20 0.31

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
SCHEMBL4195715 0.94 KMT2A (0.35) OPRM1KMT2AKDM4EALDH1A1TDP1
SCHEMBL14343993 0.89 OPRM1 (0.34) OPRM1KMT2AKDM4EALDH1A1TDP1
SCHEMBL4203597 0.88 RORC (0.35) RORCCTSKTACR2OPRM1FFAR2
SCHEMBL4707461 0.83 S1PR4 (0.36) RORCCTSKTACR2OPRM1KMT2A
SCHEMBL14343860 0.81 KDM4C (0.38) OPRM1KMT2AKDM4EALDH1A1
SCHEMBL4195720 0.81 KDM4C (0.38) OPRM1KMT2AKDM4EALDH1A1
SCHEMBL4190590 0.80 OPRM1 (0.36) OPRM1KMT2AKDM4EALDH1A1
SCHEMBL14343914 0.80 KDM4C (0.37) OPRM1
SCHEMBL14343792 0.79 OPRM1 (0.37) OPRM1KMT2AKDM4EALDH1A1
SCHEMBL14343632 0.79 CTSK (0.35) CTSKKDM4EALDH1A1TDP1L3MBTL1

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 7 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-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP 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
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 RORC 1042/4885CTSK 1218/4885TACR2 4847/4885

“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.