SCHEMBL7040162

SCHEMBL7040162

CC(C)=CCN(c1ccc(CCc2ccc(F)cc2)cc1)C1CCN(C(=O)[C@@H](N)CC(C)C)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.61
▸ DPP4 P27487 2/20 0.42
▸ DPP8 Q6V1X1 2/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL7040168 1.00 CACNA1B (0.61) CACNA1BDPP4DPP8DPP7PGR
SCHEMBL7040173 1.00 CACNA1B (0.61) CACNA1BDPP4DPP8DPP7PGR
SCHEMBL7041276 0.95 CACNA1B (0.55) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7041269 0.95 CACNA1B (0.55) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7041268 0.95 CACNA1B (0.55) CACNA1BDPP4DPP8DPP7DPP9
SCHEMBL7041963 0.95 CACNA1B (0.68) CACNA1BDPP4HTR2AOPRD1
SCHEMBL7041964 0.95 CACNA1B (0.68) CACNA1BDPP4HTR2AOPRD1
SCHEMBL7045029 0.95 CACNA1B (0.68) CACNA1BDPP4HTR2AOPRD1
SCHEMBL7036999 0.92 CACNA1B (0.72) CACNA1BOPRD1
SCHEMBL7037003 0.92 CACNA1B (0.72) CACNA1BOPRD1

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 5 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-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.

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