SCHEMBL18458388

SCHEMBL18458388

c1ccc(CN2CCN(C3(CNc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.55
OPRM1 P35372 4/20 0.49
FAAH O00519 1/20 0.48
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MC4R P32245 1/20 0.47
DRD4 P21917 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRL1 P41146 1/20 0.45

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
SCHEMBL18458490 0.93 SIGMAR1 (0.52) SIGMAR1OPRM1FAAHCYP3A4HSD17B10
SCHEMBL18458505 0.90 MC4R (0.56) SIGMAR1OPRM1FAAHCYP3A4HSD17B10
SCHEMBL18458725 0.90 SIGMAR1 (0.47) SIGMAR1OPRM1CYP3A4
SCHEMBL18425580 0.90 SIGMAR1 (0.54) SIGMAR1OPRM1FAAHCYP3A4HSD17B10
SCHEMBL18458497 0.87 SIGMAR1 (0.52) SIGMAR1OPRM1FAAHMC4RDRD4
SCHEMBL18458324 0.87 SIGMAR1 (0.53) SIGMAR1OPRM1FAAHPOLB
SCHEMBL18458974 0.87 CHRNB2 (0.46) SIGMAR1OPRM1LMNAMAPTOPRL1
SCHEMBL18458734 0.85 SMN1; SMN2 (0.51) SIGMAR1FAAH
SCHEMBL18458731 0.85 SIGMAR1 (0.52) SIGMAR1OPRM1CYP3A4HSD17B10MC4R
SCHEMBL18458530 0.84 FAAH (0.53) SIGMAR1OPRM1FAAHDRD4LMNA

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-10428051-B2 Substituted amide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-01 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 SIGMAR1 5/4885OPRM1 1/4885FAAH 80/4885
US-20190002443-A1 SUBSTITUTED AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRM1, OPRD1, OPRK1 SIGMAR1 5/4885OPRM1 1/4885FAAH 80/4885

“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.