SCHEMBL3224599

SCHEMBL3224599

O=C1OC2(CCCNC2)CN1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
OPRM1 P35372 1/20 0.50
NPY5R Q15761 8/20 0.47
ADRA1A P35348 6/20 0.47
KCNH2 Q12809 4/20 0.47
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
GRM5 P41594 3/20 0.42
HSD11B1 P28845 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
CDK4 P11802 3/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3225883 0.92 OPRM1 (0.52) SIGMAR1OPRM1NPY5RADRA1AKCNH2
SCHEMBL3219771 0.85 OPRM1 (0.53) SIGMAR1OPRM1NPY5RADRA1AKCNH2
SCHEMBL18283633 0.83 CDK4 (0.42) SIGMAR1OPRM1NPY5RADRA1AKCNH2
SCHEMBL737322 0.82 OPRM1 (0.58) SIGMAR1OPRM1NPY5RADRA1AKCNH2
Bromide SCHEMBL3031379 0.81 OPRM1 (0.56) SIGMAR1OPRM1NPY5RADRA1AKCNH2
SCHEMBL17319137 0.72 SIGMAR1 (0.56) SIGMAR1OPRM1NPY5RADRA1AKCNH2
SCHEMBL16487709 0.70 TRPV4 (0.37) SIGMAR1TRPV4CDK4
SCHEMBL15032333 0.70 TRPV4 (0.37) SIGMAR1TRPV4CDK4
SCHEMBL2995097 0.69 OPRM1 (0.53) SIGMAR1OPRM1NPY5RADRA1AKCNH2
SCHEMBL3031315 0.69 OPRM1 (0.53) SIGMAR1OPRM1NPY5RADRA1AKCNH2

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 SIGMAR1 1459/4885OPRM1 2864/4885NPY5R 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.