SCHEMBL3224569

SCHEMBL3224569

OC1(CNc2ccccc2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.48
OPRK1 P41145 11/20 0.48
OPRL1 P41146 11/20 0.48
OPRD1 P41143 11/20 0.48
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 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
SCHEMBL2342548 0.83 OPRD1 (0.55) OPRD1CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL18785421 0.81 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL18785469 0.81 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL18785448 0.80 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL13317173 0.78 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL2142315 0.78 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL69083 0.78 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL2142366 0.77 CYP3A4 (0.42) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL1489316 0.77 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL1742229 0.77 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 OPRM1 2864/4885OPRK1 2582/4885OPRL1 2318/4885

“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.