SCHEMBL7037597

SCHEMBL7037597

CC(C)CC(NC(=O)N1CCCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.60
GAA P10253 1/20 0.54
CTSS P25774 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CTSK P43235 5/20 0.51
CTSL P07711 1/20 0.50

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
SCHEMBL7342473 1.00 CACNA1B (0.60) CACNA1BGAACTSSPOLBMAPT
SCHEMBL7037594 1.00 CACNA1B (0.60) CACNA1BGAACTSSPOLBMAPT
SCHEMBL7340561 0.89 GAA (0.56) CACNA1BGAACTSSPOLBMAPT
SCHEMBL7340556 0.89 GAA (0.56) CACNA1BGAACTSSPOLBMAPT
SCHEMBL7338159 0.87 GAA (0.73) CACNA1BGAACTSSPOLBMAPT
SCHEMBL7337674 0.87 GAA (0.73) CACNA1BGAACTSSPOLBMAPT
SCHEMBL7324099 0.86 POLB (0.60) GAAPOLBMAPTTDP1
SCHEMBL7337799 0.86 POLB (0.60) GAAPOLBMAPTTDP1
SCHEMBL7337804 0.86 POLB (0.60) GAAPOLBMAPTTDP1
SCHEMBL27347757 0.86 POLB (0.60) GAAPOLBMAPTTDP1

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 9 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 disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 US disclosed
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 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 (3 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 2/4885GAA 1903/4885CTSS 1250/4885
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts CACNA1E, RYR1, CACNA1B CACNA1B 3/4885GAA 4740/4885CTSS 2158/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885GAA 1903/4885CTSS 1250/4885

“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.