SCHEMBL6903575

SCHEMBL6903575

COc1nnc([C@@H](NC(=O)Cc2ccc(C(C)C)cc2)c2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 1/20 0.44
S1PR3 Q99500 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A9 P48067 1/20 0.42
GPR88 Q9GZN0 2/20 0.42
MEN1 O00255 3/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6903586 0.85 CNR2 (0.52) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL11903230 0.85 CNR2 (0.52) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL11899266 0.83 CNR2 (0.50) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL6901660 0.83 CNR2 (0.50) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL6902963 0.82 CNR2 (0.49) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL1803666 0.77 CNR2 (0.53) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL1801745 0.76 CNR2 (0.54) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL1801508 0.74 CNR2 (0.52) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL6903604 0.73 CNR2 (0.46) CNR2ALDH1A1KMT2AHPGDMAPT
SCHEMBL1065398 0.73 CNR2 (0.56) CNR2ALDH1A1KMT2AHPGDMAPT

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 9 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-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 3841/4885KMT2A 2977/4885

“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.