SCHEMBL7547521

SCHEMBL7547521

CC(C[CH]C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)CN1CCOCC1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
EGFR P00533 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
TACR2 P21452 6/20 0.45
EPHX2 P34913 1/20 0.44
PPARG P37231 2/20 0.43
ADAMTS4 O75173 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
JAK2 O60674 2/20 0.41
PAX8 Q06710 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ACACB O00763 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL7341214 0.85 PPARG (0.47) KMT2AALDH1A1MAPTTACR2PPARG
SCHEMBL7344535 0.84 TACR2 (0.60) TACR2
SCHEMBL7547524 0.81 GAA (0.52) KMT2AGAAEGFRALDH1A1MAPT
SCHEMBL7344073 0.80 PPARG (0.62) PPARGSMN1; SMN2
SCHEMBL7541479 0.80 ADRB2 (0.47) PPARGSMN1; SMN2
SCHEMBL7544099 0.80 L3MBTL1 (0.47) PPARGSMN1; SMN2L3MBTL1
SCHEMBL7542839 0.80 PPARG (0.46) PPARGSMN1; SMN2
SCHEMBL7425378 0.79 GAA (0.53) KMT2AGAAEGFRALDH1A1MAPT
SCHEMBL7340760 0.78 CACNA1B (0.50) PPARG
SCHEMBL7343410 0.77 FAAH (0.50) KMT2AGAAALDH1A1PPARGSMN1; 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 5 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

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 KMT2A 2402/4885GAA 4740/4885EGFR 3615/4885

“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.