SCHEMBL22734745

SCHEMBL22734745

CNCC[C@]1(O)CCc2cc(F)ccc2[C@H]1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.51
CYP2D6 P10635 12/20 0.40
CACNA1H O95180 4/20 0.37
CACNA1C Q13936 2/20 0.37
MAPT P10636 3/20 0.36
CACNA1B Q00975 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
ABCB11 O95342 2/20 0.35
NPC1 O15118 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1F O60840 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL22761556 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL22761498 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL2259283 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL14428889 1.00 CYP3A4 (0.51) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL22734707 0.88 CYP3A4 (0.49) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL22761552 0.88 CYP3A4 (0.49) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL9737738 0.86 CYP3A4 (0.53) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL2259508 0.86 CYP3A4 (0.53) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
SCHEMBL8709648 0.86 CYP3A4 (0.53) CYP3A4CYP2D6CACNA1HCACNA1CMAPT
Hydrochloric Acid SCHEMBL10798620 0.82 CYP3A4 (0.49) CYP3A4CYP2D6CACNA1HCACNA1CMAPT

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-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 US disclosed
US-11130750-B2 Calcium channel inhibitors CAVION, INC. (US) 2021-09-28 US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 US disclosed
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CAVION, INC. 2020-12-10 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-11130750-B2 Calcium channel inhibitors CACNA1F, ORAI1, CACNA1E CYP3A4 2305/4885CYP2D6 3322/4885CACNA1H 12/4885
US-20200385367-A1 CALCIUM CHANNEL INHIBITORS CACNA1F, ORAI1, CACNA1E CYP3A4 2305/4885CYP2D6 3322/4885CACNA1H 12/4885

“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.