SCHEMBL6076384

SCHEMBL6076384

Cc1ccccc1C1CCN(C(=O)C2CCc3c(C)ccc(C)c3C(=O)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
OPRL1 P41146 4/20 0.41
KCNH2 Q12809 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 2/20 0.41
TSHR P16473 2/20 0.40
AVPR1A P37288 1/20 0.40
HSD11B1 P28845 1/20 0.39
FAAH O00519 1/20 0.38
MCHR1 Q99705 1/20 0.38
DRD4 P21917 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6264441 0.88 KMT2A (0.39) KMT2AMEN1OPRL1MGLLTSHR
SCHEMBL6490761 0.87 OPRL1 (0.43) KMT2AMEN1OPRL1KCNH2TRPV1
SCHEMBL6262419 0.84 OPRM1 (0.42) KMT2AMEN1OPRL1TSHRHSD11B1
SCHEMBL6079726 0.82 KMT2A (0.40) KMT2AMEN1OPRL1KCNH2TRPV1
SCHEMBL6501091 0.81 HTR7 (0.48) KMT2AMEN1OPRL1KCNH2TRPV1
SCHEMBL6080691 0.81 OPRL1 (0.41) KMT2AMEN1OPRL1KCNH2TRPV1
SCHEMBL6075954 0.80 KMT2A (0.53) KMT2AMEN1DRD4ALDH1A1MAPT
SCHEMBL6080094 0.79 BACE1 (0.41) KMT2AMEN1OPRL1KCNH2TRPV1
SCHEMBL6076026 0.79 ALDH1A1 (0.40) KMT2AMEN1OPRL1KCNH2TRPV1
SCHEMBL6075118 0.79 MGLL (0.41) KMT2AMEN1OPRL1KCNH2TRPV1

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 3 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

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 KMT2A 2049/4885MEN1 4805/4885OPRL1 2/4885

“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.