SCHEMBL1950589

SCHEMBL1950589

C[C@H](O)CN1CCc2cc(N)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 6/20 0.49
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
PRMT5 O14744 10/20 0.44
WDR77 Q9BQA1 1/20 0.41
HSD17B3 P37058 1/20 0.41
PRMT1 Q99873 1/20 0.40

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
SCHEMBL30020415 0.83 PRMT5 (0.59) CARM1OPRM1OPRK1PRMT5WDR77
SCHEMBL30304726 0.82 PRMT5 (0.50) CARM1PRMT5WDR77
SCHEMBL28752686 0.81 HSD17B3 (0.46) CARM1OPRM1OPRK1PRMT5WDR77
SCHEMBL26224409 0.80 CARM1 (0.66) CARM1PRMT5WDR77
SCHEMBL28057284 0.80 CARM1 (0.66) CARM1PRMT5WDR77
SCHEMBL30304699 0.80 CARM1 (0.66) CARM1PRMT5WDR77
SCHEMBL28057271 0.80 CARM1 (0.66) CARM1PRMT5WDR77
SCHEMBL1950594 0.80 HRH3 (0.50) CARM1HSD17B3
SCHEMBL27932905 0.79 HSD17B3 (0.46) CARM1HSD17B3
SCHEMBL2848463 0.78 LMNA (0.46) CARM1OPRM1OPRK1PRMT5WDR77

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 10 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-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 CARM1 802/4885OPRM1 2127/4885OPRK1 1118/4885

“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.