SCHEMBL7038899

SCHEMBL7038899

CCC(C)[C@H](N)C(=O)N1CCC(N(CCC(C)C)c2ccc(OCc3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.56
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL7038895 1.00 CACNA1B (0.56) CACNA1BDPP4DPP8DPP9DPP7
SCHEMBL7039926 0.92 CACNA1B (0.56) CACNA1BDPP4DPP8DPP9
SCHEMBL7039922 0.92 CACNA1B (0.56) CACNA1BDPP4DPP8DPP9
SCHEMBL7040962 0.92 CACNA1B (0.66) CACNA1B
SCHEMBL7038423 0.92 CACNA1B (0.66) CACNA1B
SCHEMBL7045468 0.90 CACNA1B (0.47) CACNA1BDPP4DPP8DPP9DPP7
SCHEMBL7045467 0.90 CACNA1B (0.47) CACNA1BDPP4DPP8DPP9DPP7
SCHEMBL7043264 0.88 CACNA1B (0.65) CACNA1B
SCHEMBL7043256 0.88 CACNA1B (0.65) CACNA1B
SCHEMBL7040932 0.84 CACNA1B (0.49) CACNA1BDPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US claimed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 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
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 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 (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 3263/4885DPP8 3940/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885DPP4 3263/4885DPP8 3940/4885

“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.