SCHEMBL3466716

SCHEMBL3466716

CN(C)C[C@H]1CCc2ccc(N)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.53
GRIN2B Q13224 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL3466219 1.00 MCHR1 (0.53) MCHR1GRIN2BDRD2DRD3DRD4
SCHEMBL1951732 1.00 MCHR1 (0.53) MCHR1GRIN2BDRD2DRD3DRD4
SCHEMBL1950909 0.94 MCHR1 (0.59) MCHR1GRIN2B
SCHEMBL3465857 0.94 MCHR1 (0.59) MCHR1GRIN2B
SCHEMBL3468188 0.94 MCHR1 (0.59) MCHR1GRIN2B
Hydrochloric Acid SCHEMBL5582879 0.92 MCHR1 (0.58) MCHR1GRIN2B
SCHEMBL5582641 0.85 MCHR1 (0.51) MCHR1GRIN2B
SCHEMBL14922880 0.83 MCHR1 (0.52) MCHR1DRD2DRD3DRD4
SCHEMBL5582575 0.81 DRD2 (0.60) MCHR1DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL4621061 0.80 DRD2 (0.59) MCHR1DRD2DRD3DRD4

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 7 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
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 MCHR1 2603/4885GRIN2B 1396/4885DRD2 3153/4885

“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.