SCHEMBL4194046

SCHEMBL4194046

CC(CC1CCCCC1)NCc1ncccc1NC(=O)Nc1cc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
REN P00797 1/20 0.36
GCK P35557 3/20 0.36
PYGL P06737 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
OPRM1 P35372 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
METAP2 P50579 3/20 0.34
METAP1 P53582 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34

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
Cyclohexane SCHEMBL14348248 0.88 NTRK1 (0.38) HTR1ADRD2HTR2AFPR1FPR2
SCHEMBL4707353 0.87 CNR1 (0.36) RENGCKCNR1CNR2OPRM1
SCHEMBL4190961 0.87 HTR1A (0.37) HTR1ADRD2HTR2ARENGCK
SCHEMBL4190568 0.86 GCK (0.37) HTR1ADRD2HTR2ARENGCK
SCHEMBL4201892 0.84 REN (0.38) HTR1ADRD2HTR2ARENPYGL
SCHEMBL4195445 0.84 REN (0.38) HTR1ADRD2HTR2ARENPYGL
SCHEMBL4194935 0.82 REN (0.35) HTR1ADRD2HTR2ARENGCK
SCHEMBL4194840 0.80 NPY5R (0.38) GCKCNR1CNR2MEN1KMT2A
SCHEMBL14343589 0.79 CNR1 (0.38) GCKCNR1CNR2
SCHEMBL14343792 0.79 OPRM1 (0.37) HTR2ARENGCKCNR1OPRM1

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 5 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

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 HTR1A 2059/4885DRD2 4825/4885HTR2A 3672/4885

“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.