SCHEMBL1950828

SCHEMBL1950828

CC(C)(O)CCN1CCc2ccc(N)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
DRD2 P14416 5/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.40
OPRM1 P35372 1/20 0.40
ABCB1 P08183 4/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
CARM1 Q86X55 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6293957 0.81 DRD2 (0.52) NR1H2DRD2DRD3ABCB1ABCG2
SCHEMBL1948812 0.81 NR1H2 (0.45) NR1H2DRD2DRD3ABCB1ABCG2
SCHEMBL31214402 0.81 DRD2 (0.52) NR1H2DRD2DRD3ABCB1ABCG2
SCHEMBL29144139 0.81 HDAC3 (0.56) DRD2DRD3HDAC3HDAC1HDAC8
Hydrochloric Acid SCHEMBL7509547 0.80 NR1H2 (0.44) NR1H2DRD2DRD3ABCB1ABCG2
Hydrochloric Acid SCHEMBL7817924 0.80 DRD2 (0.51) NR1H2DRD2DRD3ABCB1ABCG2
SCHEMBL30561542 0.77 HRH3 (0.50) NR1H2DRD2DRD3CARM1
SCHEMBL6298322 0.77 HRH3 (0.50) NR1H2DRD2DRD3CARM1
SCHEMBL1951288 0.77 ABCB1 (0.45) NR1H2DRD2DRD3ABCB1ABCG2
SCHEMBL27835352 0.77 NR1H2 (0.47) NR1H2DRD2DRD3ABCB1ABCG2

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 NR1H2 1731/4885DRD2 3153/4885DRD3 2796/4885

“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.