SCHEMBL7040409

SCHEMBL7040409

CC(C)CC(N)C(=O)N1CCC(Nc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.71
LTA4H P09960 3/20 0.50
DPP7 Q9UHL4 1/20 0.50
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL7353811 0.83 CACNA1B (1.00) CACNA1B
SCHEMBL7384570 0.83 CACNA1B (1.00) CACNA1B
SCHEMBL6129124 0.83 CACNA1B (0.63) CACNA1BDPP7KMT2A
SCHEMBL23724311 0.82 CACNA1B (0.62) CACNA1BLTA4HMAPT
SCHEMBL7045451 0.82 CACNA1B (0.73) CACNA1BDPP7KMT2A
SCHEMBL7038870 0.80 CACNA1B (0.79) CACNA1BDPP7
SCHEMBL7040140 0.80 CACNA1B (0.79) CACNA1BDPP7
SCHEMBL7045048 0.80 CACNA1B (0.79) CACNA1BDPP7KMT2A
SCHEMBL7351809 0.80 CACNA1B (0.58) CACNA1BLTA4HMAPT
SCHEMBL7040022 0.79 CACNA1B (0.70) CACNA1BDPP7

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-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
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 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 2/4885LTA4H 759/4885DPP7 3370/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885LTA4H 759/4885DPP7 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.