SCHEMBL7541479

SCHEMBL7541479

CC(C[CH]C(=O)NC(CNC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
PPARG P37231 3/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
LTA4H P09960 2/20 0.43
MAOB P27338 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL7542839 0.87 PPARG (0.46) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7344073 0.83 PPARG (0.62) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7338154 0.83 PPARG (0.51) PPARGITGB3ITGA2BNPC1RAB9A
SCHEMBL7544099 0.83 L3MBTL1 (0.47) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7547521 0.80 KMT2A (0.48) PPARGSMN1; SMN2
SCHEMBL7345222 0.80 PPARG (0.51) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7346029 0.79 PPARG (0.49) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7339686 0.79 PPARG (0.49) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7338315 0.79 PPARG (0.52) PPARGNPC1RAB9ASMN1; SMN2MME
SCHEMBL7337025 0.79 KLKB1 (0.52) PPARGMMEACECPA1ACE2

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-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 US claimed
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 US claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts CACNA1E, RYR1, CACNA1B ADRB2 1172/4885ADRB1 602/4885ADRB3 1262/4885

“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.