SCHEMBL3465857

SCHEMBL3465857

CN(C)C[C@H]1CCc2cc(N)ccc2C1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.59
GRIN2B Q13224 1/20 0.40
CYP26A1 O43174 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
SCHEMBL3468188 1.00 MCHR1 (0.59) MCHR1GRIN2BCYP26A1CYP19A1
SCHEMBL1950909 1.00 MCHR1 (0.59) MCHR1GRIN2BCYP26A1CYP19A1
Hydrochloric Acid SCHEMBL5582879 0.98 MCHR1 (0.58) MCHR1GRIN2B
SCHEMBL3466716 0.94 MCHR1 (0.53) MCHR1GRIN2B
SCHEMBL1951732 0.94 MCHR1 (0.53) MCHR1GRIN2B
SCHEMBL3466219 0.94 MCHR1 (0.53) MCHR1GRIN2B
SCHEMBL5582641 0.91 MCHR1 (0.51) MCHR1GRIN2B
Hydrochloric Acid SCHEMBL6578434 0.83 MCHR1 (0.70) MCHR1
SCHEMBL20883893 0.83 MCHR1 (0.58) MCHR1CYP26A1
SCHEMBL4622647 0.81 CYP19A1 (0.56) MCHR1CYP26A1CYP19A1

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 8 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
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 1396/4885CYP26A1 4432/4885

“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.