SCHEMBL3226651

SCHEMBL3226651

O=C1OC2(CN1c1ccccc1)CN(C(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ NPY5R Q15761 8/20 0.44
▸ ADRA1A P35348 7/20 0.44
▸ KCNH2 Q12809 5/20 0.44
▸ CYP3A4 P08684 4/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ OPRD1 P41143 4/20 0.39
▸ OPRK1 P41145 4/20 0.39
▸ OPRL1 P41146 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GRM5 P41594 1/20 0.37

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
SCHEMBL21640238 0.81 CYP2D6 (0.44) OPRM1ADRA1AKCNH2CYP3A4CYP2D6
SCHEMBL3219771 0.75 OPRM1 (0.53) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL23857033 0.73 NR3C2 (0.46) KCNH2
SCHEMBL30047487 0.73 NR3C2 (0.46) KCNH2
SCHEMBL737322 0.73 OPRM1 (0.58) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL1121779 0.72 CYP3A4 (0.51) OPRM1KCNH2CYP3A4CYP2D6USP2
Bromide SCHEMBL3031379 0.72 OPRM1 (0.56) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL23856756 0.72 CYP2D6 (0.47) OPRM1CYP3A4CYP2D6USP2CYP2C9
SCHEMBL3225883 0.71 OPRM1 (0.52) OPRM1SIGMAR1NPY5RADRA1AKCNH2
SCHEMBL3224599 0.69 SIGMAR1 (0.50) OPRM1SIGMAR1NPY5RADRA1AKCNH2

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 2864/4885SIGMAR1 1459/4885NPY5R 2775/4885

“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.

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