SCHEMBL18761313

SCHEMBL18761313

NC1CCN(C(=O)Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 13/20 0.53
▸ CACNA1G O43497 5/20 0.44
▸ CACNA1B Q00975 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL15844077 0.87 CACNA1H (0.56) CACNA1HCACNA1GLMNATSHRPOLB
SCHEMBL15844374 0.86 CACNA1H (0.70) CACNA1HCACNA1GCACNA1BLMNATSHR
SCHEMBL15844419 0.85 CACNA1H (0.54) CACNA1HCACNA1GLMNATSHR
SCHEMBL15844275 0.85 CACNA1H (0.54) CACNA1HCACNA1GLMNATSHRPKM
SCHEMBL17437406 0.83 CACNA1H (0.76) CACNA1HCACNA1GCACNA1B
SCHEMBL3427756 0.76 EGLN1 (0.42) CACNA1HCACNA1GCACNA1B
SCHEMBL18761295 0.76 CACNA1H (0.56) CACNA1HCACNA1GTNKSPARP1PARP2
Lithium Ion SCHEMBL3427753 0.75 CACNA1H (0.41) CACNA1HCACNA1GCACNA1B
SCHEMBL20094226 0.74 LMNA (0.53) CACNA1HCACNA1GLMNATSHRMEN1
SCHEMBL20094224 0.74 CACNA1H (0.57) CACNA1HLMNATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 — — US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 — — US 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 (2 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-10208023-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPV1, SCN1A CACNA1H 32/4885CACNA1G 13/4885CACNA1B 9/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CACNA1H 20/4885CACNA1G 7/4885CACNA1B 5/4885

“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.

Send feedback