SCHEMBL18785448

SCHEMBL18785448

OC1(CNCc2ccccc2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.51
OPRK1 P41145 10/20 0.51
OPRL1 P41146 10/20 0.51
OPRD1 P41143 9/20 0.51
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CACNA1G O43497 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL18785421 0.84 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL3224569 0.80 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL1742229 0.80 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL18785469 0.78 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL19585998 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL13317173 0.74 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL69083 0.74 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL2142315 0.74 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL2142366 0.73 CYP3A4 (0.42) OPRM1OPRK1OPRL1OPRD1NPSR1
SCHEMBL1489316 0.73 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1NPSR1

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-10689398-B2 OXA-Diazaspiro compounds having activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-23 US disclosed
US-10689398-B2 OXA-Diazaspiro compounds having activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-23 US disclosed
US-20190002475-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
US-20190002475-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US disclosed
WO-2017067664-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-04-27 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-10689398-B2 OXA-Diazaspiro compounds having activity against pain OPRD1, SIGMAR1, OPRK1 OPRM1 5/4885OPRK1 3/4885OPRL1 4/4885
US-20190002475-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 OPRM1 5/4885OPRK1 3/4885OPRL1 4/4885

“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.