SCHEMBL6129124

SCHEMBL6129124

CC(C)=C[C@H](NC1CCN(C(=O)C(N)CC(C)C)CC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.63
DPP7 Q9UHL4 1/20 0.46
ACACB O00763 1/20 0.42
PRMT5 O14744 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL7040409 0.83 CACNA1B (0.71) CACNA1BDPP7KMT2A
SCHEMBL7038930 0.78 CACNA1B (1.00) CACNA1BDPP7
SCHEMBL2866427 0.78 CACNA1B (1.00) CACNA1BDPP7
SCHEMBL2866423 0.78 CACNA1B (1.00) CACNA1BDPP7
SCHEMBL7045451 0.77 CACNA1B (0.73) CACNA1BDPP7PRMT5KMT2A
Hydrochloric Acid SCHEMBL7038897 0.77 CACNA1B (0.98) CACNA1BDPP7
SCHEMBL7780744 0.77 CACNA1B (0.43) CACNA1BACACB
SCHEMBL7040140 0.76 CACNA1B (0.79) CACNA1BDPP7PRMT5
SCHEMBL7045048 0.76 CACNA1B (0.79) CACNA1BDPP7PRMT5KMT2A
SCHEMBL7038870 0.76 CACNA1B (0.79) CACNA1BDPP7PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 US claimed

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-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist CACNA1B, CACNA1G, CACNA1C CACNA1B 1/4885DPP7 1216/4885ACACB 1155/4885

“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.