SCHEMBL1949908

SCHEMBL1949908

OCCN1CCc2c[c]ccc2CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
SLC18A3 Q16572 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
GRIN2B Q13224 1/20 0.33
DRD3 P35462 1/20 0.33
PKM P14618 1/20 0.33
PNMT P11086 1/20 0.33

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
SCHEMBL216386 0.90 HDAC3 (0.39) DRD2ALDH1A1DRD3PNMT
SCHEMBL1951737 0.90 HDAC3 (0.39) DRD2ALDH1A1DRD3PNMT
SCHEMBL1953052 0.79 MEN1 (0.36) MEN1KMT2ACYP2D6CYP2C19HPGD
SCHEMBL21591607 0.79 CYP2D6 (0.33) SLC18A3MEN1KMT2ACYP2D6CYP2C19
SCHEMBL217306 0.77 DRD2 (0.48) DRD2CYP2D6DRD3
SCHEMBL6811660 0.77 SLC18A3 (0.52) DRD2SLC18A3MEN1KMT2AGRIN2B
SCHEMBL28597675 0.76 HTR7 (0.40) DRD2ALDH1A1DRD3PNMT
SCHEMBL1450611 0.75 ALDH1A1 (0.44) MEN1KMT2AALDH1A1LMNA
SCHEMBL1952859 0.75 CARM1 (0.36)
SCHEMBL28605052 0.74 HTR7 (0.39) ALDH1A1HSD17B10PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 DRD2 3153/4885SLC18A3 4857/4885MEN1 606/4885

“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.