SCHEMBL1950847

SCHEMBL1950847

CN(C)C(=O)C1CCc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.50
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
FAAH O00519 4/20 0.48
HSD11B1 P28845 1/20 0.46
P2RX7 Q99572 1/20 0.44
PLAU P00749 1/20 0.43
NPY5R Q15761 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL19417742 0.87 HSD11B1 (0.42) GHSRMTNR1AMTNR1BFAAHHSD11B1
SCHEMBL19277248 0.84 GHSR (0.46) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL20909776 0.81 ACHE (0.44) GHSRFAAHHSD11B1
SCHEMBL15478536 0.80 MTNR1A (0.57) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL406043 0.80 MTNR1A (0.57) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL6427539 0.78 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL1193346 0.78 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL367535 0.78 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL5608206 0.78 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL6534185 0.78 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
EP-2168966-B1 BICYCLOANILINE DERIVATIVE MSD KK (JP) 2016-09-28 EP disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-8436004-B2 Bicycloaniline derivative MSD K.K. (JP) 2013-05-07 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
US-20110135601-A1 BICYCLOANILINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2011-06-09 US disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168966-A1 BICYCLOANILINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-03-31 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 (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-20110135601-A1 BICYCLOANILINE DERIVATIVE WEE1, WEE2, CCNK GHSR 3642/4885MTNR1A 1775/4885MTNR1B 2438/4885

“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.