SCHEMBL7044589

SCHEMBL7044589

CCC(C)C(N)C(=O)N1CCC(N(CCC(C)C)c2ccc(CCC3CCCCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.51
DPP4 P27487 6/20 0.41
DPP8 Q6V1X1 4/20 0.41
DPP7 Q9UHL4 4/20 0.41
DPP9 Q86TI2 2/20 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
SCHEMBL7044591 1.00 CACNA1B (0.51) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7045015 0.89 CACNA1B (0.51) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7045018 0.89 CACNA1B (0.51) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7043335 0.88 CACNA1B (0.55) CACNA1B
SCHEMBL7038928 0.88 CACNA1B (0.55) CACNA1B
SCHEMBL7038920 0.88 CACNA1B (0.55) CACNA1B
SCHEMBL7043459 0.87 CACNA1B (0.51) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7043462 0.87 CACNA1B (0.51) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7045032 0.86 CACNA1B (0.47) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7045034 0.86 CACNA1B (0.47) CACNA1BDPP4DPP8DPP7DPP9

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-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
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US 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 3263/4885DPP8 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.