SCHEMBL18766497

SCHEMBL18766497

CC(C)CCN1CCC[C@@]2(CC1)CN(C(=O)c1ccccc1)CC1(CC1)O2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM3 P20309 2/20 0.44
CYP3A4 P08684 8/20 0.41
CYP2D6 P10635 6/20 0.41
CYP1A2 P05177 2/20 0.41
OPRM1 P35372 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
KCNH2 Q12809 3/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNA5 P22460 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
DRD3 P35462 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
SCHEMBL18785265 1.00 CHRM2 (0.44) CHRM2CHRM3CYP3A4CYP2D6CYP1A2
SCHEMBL18766550 1.00 CHRM2 (0.44) CHRM2CHRM3CYP3A4CYP2D6CYP1A2
SCHEMBL18785386 0.94 CYP3A4 (0.41) CHRM2CHRM3CYP3A4CYP2D6CYP1A2
SCHEMBL18785006 0.89 CYP2D6 (0.50) CHRM2CHRM3CYP3A4CYP2D6CYP1A2
SCHEMBL20621644 0.88 CHRM2 (0.59) CHRM2CHRM3CYP3A4CYP2D6
SCHEMBL18785258 0.88 CHRM2 (0.59) CHRM2CHRM3CYP3A4CYP2D6
SCHEMBL18785277 0.86 CHRM2 (0.43) CHRM2CHRM3CYP3A4CYP2D6CYP1A2
SCHEMBL18766506 0.86 CHRM2 (0.43) CHRM2CHRM3CYP3A4CYP2D6CYP1A2
SCHEMBL18766445 0.86 CHRM2 (0.43) CHRM2CHRM3CYP3A4CYP2D6CYP1A2
SCHEMBL18766520 0.86 CHRM2 (0.43) CHRM2CHRM3CYP3A4CYP2D6CYP1A2

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 9 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 claimed
US-20190002475-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 US claimed
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
EP-3365346-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2018-08-29 EP disclosed
WO-2017067664-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-04-27 WO 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 CHRM2 1069/4885CHRM3 332/4885CYP3A4 1356/4885
US-20190002475-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 CHRM2 1069/4885CHRM3 332/4885CYP3A4 1356/4885

“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.