SCHEMBL7040252

SCHEMBL7040252

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.51
CTSS P25774 5/20 0.50
MAPT P10636 1/20 0.47
CACNA1B Q00975 4/20 0.46
FOLH1 Q04609 2/20 0.45
CAPN1 P07384 1/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
LAP3 P28838 1/20 0.43

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
SCHEMBL7341199 1.00 GAA (0.62) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL3966807 1.00 GAA (0.62) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL7339296 0.85 GAA (0.64) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL6618585 0.85 GAA (0.64) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL10187865 0.85 GAA (0.54) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL6801263 0.84 CTSS (0.69) GAAALDH1A1CTSSCAPN1
SCHEMBL6447450 0.84 GAA (0.59) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL6802863 0.84 CTSS (0.69) GAAALDH1A1CTSSCAPN1
SCHEMBL7027854 0.84 CTSS (0.69) GAAALDH1A1CTSSCAPN1
SCHEMBL6447455 0.84 GAA (0.59) GAAALDH1A1MEN1LMNAKMT2A

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 11 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
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO 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 (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 GAA 1903/4885ALDH1A1 943/4885MEN1 829/4885
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts CACNA1E, RYR1, CACNA1B GAA 4740/4885ALDH1A1 3308/4885MEN1 1837/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G GAA 1903/4885ALDH1A1 943/4885MEN1 829/4885

“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.