SCHEMBL18458358

SCHEMBL18458358

N#CC1(N2CCN(Cc3ccccc3)CC2)CCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.56
SIGMAR1 Q99720 4/20 0.55
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MC4R P32245 1/20 0.47
POLB P06746 2/20 0.46
DRD4 P21917 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNA3 P22001 1/20 0.46
OPRL1 P41146 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL5199646 0.95 OPRM1 (0.55) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL14836350 0.95 OPRM1 (0.55) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL22441511 0.94 OPRM1 (0.59) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL2335642 0.88 OPRM1 (0.60) OPRM1SIGMAR1CYP3A4HSD17B10POLB
SCHEMBL18458363 0.87 OPRM1 (0.52) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL14279621 0.87 MC4R (0.59) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL3523156 0.87 OPRM1 (0.52) OPRM1SIGMAR1CYP3A4HSD17B10MC4R
SCHEMBL4031096 0.87 OPRM1 (0.58) OPRM1SIGMAR1CYP3A4HSD17B10POLB
SCHEMBL21337177 0.86 OPRM1 (0.46) OPRM1SIGMAR1CYP3A4HSD17B10DRD4
SCHEMBL20482001 0.85 MC4R (0.50) OPRM1SIGMAR1CYP3A4HSD17B10MC4R

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-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
US-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 US disclosed
EP-3328853-B1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS SA (ES) 2019-09-11 EP disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
WO-2017016669-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-02-02 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 (2 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-10428051-B2 Substituted amide derivatives having multimodal activity against pain OPRM1, OPRD1, OPRK1 OPRM1 1/4885SIGMAR1 5/4885CYP3A4 890/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 OPRM1 1/4885SIGMAR1 5/4885CYP3A4 890/4885

“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.