SCHEMBL6903586

SCHEMBL6903586

CC(C)c1ccc(CC(=O)N[C@@H](c2ccccc2)c2nnc(N)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.45
S1PR3 Q99500 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A9 P48067 1/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GPR88 Q9GZN0 2/20 0.41
CNR1 P21554 1/20 0.41
RORC P51449 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL11903230 1.00 CNR2 (0.52) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL11899463 0.86 CNR2 (0.45) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL11899266 0.85 CNR2 (0.50) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL6901660 0.85 CNR2 (0.50) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL6903575 0.85 CNR2 (0.50) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL6902963 0.84 CNR2 (0.49) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL1803666 0.79 CNR2 (0.53) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL1801745 0.77 CNR2 (0.54) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL1801508 0.76 CNR2 (0.52) CNR2ALDH1A1HPGDKMT2AMAPT
SCHEMBL6903604 0.74 CNR2 (0.46) CNR2ALDH1A1HPGDKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP claimed
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US claimed
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
EP-2493297-B1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
US-8987310-B2 Heterocycle amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987310-B2 Heterocycle amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987310-B2 Heterocycle amide T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US disclosed
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US disclosed
US-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2012-08-09 US disclosed
WO-2011053542-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-05-05 WO 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-20120202852-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CNR2 155/4885ALDH1A1 3841/4885HPGD 617/4885

“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.