SCHEMBL7432176

SCHEMBL7432176

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)CN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
GAA P10253 1/20 0.65
LTA4H P09960 2/20 0.58
HTT P42858 1/20 0.55
EGFR P00533 2/20 0.55
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
EPHX2 P34913 1/20 0.48
RAB9A P51151 2/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABCB1 P08183 2/20 0.47
MCHR1 Q99705 1/20 0.47
CYP2D6 P10635 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TACR2 P21452 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL7433993 1.00 KMT2A (0.65) KMT2AGAALTA4HHTTEGFR
SCHEMBL5913859 0.87 EPHX1 (0.52) KMT2AGAAHTTALDH1A1MAPT
SCHEMBL367115 0.87 EPHX1 (0.52) KMT2AGAAHTTALDH1A1MAPT
SCHEMBL19257998 0.87 EPHX1 (0.52) KMT2AGAAHTTALDH1A1MAPT
SCHEMBL9484227 0.86 LTA4H (0.56) KMT2AGAALTA4HHTTALDH1A1
Hydrochloric Acid SCHEMBL6007905 0.85 EPHX1 (0.50) KMT2AGAAHTTALDH1A1MAPT
SCHEMBL23235218 0.78 KMT2A (0.78) KMT2AGAALTA4HHTTEGFR
SCHEMBL7405696 0.77 TACR2 (0.62) KMT2AGAAHTTEGFRALDH1A1
SCHEMBL7547524 0.77 GAA (0.52) KMT2AGAALTA4HEGFRALDH1A1
SCHEMBL1956688 0.76 LTA4H (0.79) KMT2AGAALTA4HHTTEGFR

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 4 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 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
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 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 (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 4740/4885LTA4H 2416/4885

“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.