SCHEMBL7040075

SCHEMBL7040075

CCC(C)C(N)C(=O)N1CCC(N(CC=C(C)C)c2ccc(CCC(C)(C)C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.53
▸ DPP4 P27487 7/20 0.41
▸ DPP7 Q9UHL4 7/20 0.39
▸ DPP8 Q6V1X1 6/20 0.39
▸ DPP9 Q86TI2 4/20 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
SCHEMBL7040081 1.00 CACNA1B (0.53) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7041256 0.90 CACNA1B (0.53) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7041255 0.90 CACNA1B (0.53) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7043708 0.89 CACNA1B (0.62) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7043712 0.89 CACNA1B (0.62) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7036943 0.89 CACNA1B (0.53) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7036945 0.89 CACNA1B (0.53) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7042683 0.89 CACNA1B (0.53) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7042680 0.89 CACNA1B (0.53) CACNA1BDPP4DPP7DPP8DPP9
SCHEMBL7041786 0.87 CACNA1B (0.67) CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 — — US claimed
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 — — US claimed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 — — WO claimed
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 — — US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 — — US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 — — 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-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885DPP4 3263/4885DPP7 3370/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885DPP4 3263/4885DPP7 3370/4885

“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.

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