SCHEMBL6074983

SCHEMBL6074983

O=C1CC(c2c(Cl)cccc2Cl)CC(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.49
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LDHA P00338 5/20 0.44
LDHB P07195 1/20 0.44
MAPT P10636 2/20 0.43
AHR P35869 1/20 0.43
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNG3 O60359 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNB3 P54284 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNG7 P62955 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNG1 Q06432 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
SCHEMBL11655783 0.81 MTNR1A (0.50) TP53POLBALDH1A1LDHALDHB
SCHEMBL5309411 0.78 TP53 (0.63) TP53POLBLDHALDHBMAPT
SCHEMBL31348863 0.72 LMNA (0.51) TP53ALDH1A1LDHALDHBMAPT
SCHEMBL10387633 0.71 OPRL1 (0.49) ALDH1A1LDHALDHBTSHR
SCHEMBL7686920 0.71 LDHA (0.44) TP53POLBALDH1A1LDHALDHB
SCHEMBL7355728 0.71 MAPT (0.40) TP53POLBLDHALDHBMAPT
SCHEMBL21821630 0.71 LDHA (0.50) LDHALDHB
SCHEMBL24770740 0.70 HTR2C (0.46)
SCHEMBL11656459 0.69 LDHA (0.39) TP53POLBALDH1A1LDHALDHB
SCHEMBL22615911 0.68 LDHA (0.58) LDHALDHB

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-7115633-B2 Central nervous system disorders; Alzheimer's diseases; eating disorders GLAXOSMITHKLINE S.P.A. (IT) 2006-10-03 US disclosed
EP-1278729-B1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE SPA (IT) 2005-11-09 EP disclosed
US-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics GLAXOSMITHKLINE S.P.A. (IT) 2004-02-12 US disclosed
EP-1278729-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GlaxoSmithKline S.p.A. (IT) 2003-01-29 EP disclosed
WO-2001083454-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE S.P.A. (IT) 2001-11-08 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-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics OPRK1, OPRL1, OPRM1 TP53 4841/4885POLB 4076/4885ALDH1A1 99/4885

“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.