SCHEMBL3090845

SCHEMBL3090845

CCOc1ccc([C@@H](C)NC(=O)Cc2ccc3cc[nH]c3c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 5/20 0.50
CACNA1H O95180 4/20 0.50
CACNA1G O43497 3/20 0.50
CNR2 P34972 2/20 0.50
KCNH2 Q12809 1/20 0.50
NLRP3 Q96P20 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ABL1 P00519 1/20 0.39
MAOA P21397 1/20 0.39
ACACB O00763 4/20 0.39
SLC22A12 Q96S37 1/20 0.39
KMT2A Q03164 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
SCHEMBL3096617 0.89 CACNA1I (0.48) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL3097144 0.89 CACNA1I (0.67) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL3093274 0.89 CACNA1I (0.47) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL3399668 0.82 CACNA1H (0.50) CACNA1ICACNA1HCACNA1GNLRP3ABL1
SCHEMBL12932743 0.80 CACNA1I (0.57) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL13181759 0.78 CACNA1I (0.48) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL3425797 0.78 NLRP3 (0.60) NLRP3MAOAKMT2A
SCHEMBL3423472 0.76 CACNA1H (0.49) CACNA1ICACNA1HCACNA1GNLRP3ABL1
SCHEMBL3096368 0.75 CACNA1I (0.67) CACNA1ICACNA1HCACNA1GCNR2KCNH2
SCHEMBL3428246 0.75 CACNA1H (0.48) CACNA1ICACNA1HCACNA1GNLRP3ABL1

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
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US claimed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
US-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS BARROW JAMES C 2010-09-30 US disclosed
WO-2009054983-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2009-04-30 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-20100249176-A1 HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1G, CACNA1H, CACNA1I CACNA1I 3/4885CACNA1H 2/4885CACNA1G 1/4885

“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.