SCHEMBL7042995

SCHEMBL7042995

CC(C)(C)OC(=O)Nc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
GLS O94925 2/20 0.58
CYP17A1 P05093 1/20 0.57
NAMPT P43490 3/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RECQL P46063 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
AKT1 P31749 2/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL10249437 0.91 CYP17A1 (0.68) DRD2GLSCYP17A1NAMPTNPC1
SCHEMBL1854209 0.88 ATM (0.56) DRD2GLSCYP17A1NAMPTNPC1
SCHEMBL7156537 0.87 MGLL (0.52) DRD2GLSNPC1RAB9ASMN1; SMN2
SCHEMBL1000732 0.86 NR1H4 (0.58) DRD2GLSCYP17A1NAMPTPTGDR2
SCHEMBL13234660 0.86 PPARA (0.59) DRD2NPC1RAB9ASMN1; SMN2PPARG
SCHEMBL12677009 0.86 CYP17A1 (0.58) DRD2GLSCYP17A1NAMPTNPC1
SCHEMBL27493682 0.86 CYP17A1 (0.58) DRD2GLSCYP17A1NAMPTNPC1
SCHEMBL16246084 0.86 CYP17A1 (0.58) DRD2GLSCYP17A1NAMPTNPC1
SCHEMBL2244813 0.86 CYP17A1 (0.58) DRD2GLSCYP17A1NAMPTPTGDR2
SCHEMBL7043026 0.85 POLB (0.62) CYP17A1NPC1RAB9ASMN1; SMN2

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 7 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-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
US-6251919-B1 ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN WARNER-LAMBERT 2001-06-26 US disclosed
WO-1999043658-A1 HETEROCYCLIC SUBSTITUTED ANILINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-09-02 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 (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 DRD2 3003/4885GLS 2121/4885CYP17A1 2063/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G DRD2 3003/4885GLS 2121/4885CYP17A1 2063/4885

“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.