SCHEMBL1698202

SCHEMBL1698202

c1ccc(C2CCc3cccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP19A1 P11511 2/20 0.44
ADRA1A P35348 2/20 0.41
GRIN2B Q13224 4/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDGFRA P16234 1/20 0.39
PRKACA P17612 1/20 0.39
KDR P35968 1/20 0.39
CDK8 P49336 1/20 0.39
CDK9 P50750 1/20 0.39
ROCK1 Q13464 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CYP11B2 P19099 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GRIN1 Q05586 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL3314052 0.90 IGF1R (0.46) OPRL1KCNH2ADRA1ATAAR1
SCHEMBL4194346 0.77 OPRL1 (0.48) OPRL1KCNH2CYP19A1GRIN2BSIGMAR1
SCHEMBL14275486 0.77 OPRL1 (0.48) OPRL1KCNH2CYP19A1GRIN2BSIGMAR1
SCHEMBL27616525 0.76 IGF1R (0.40) ADRA1A
SCHEMBL29881799 0.76 OPRL1 (0.43) OPRL1KCNH2CYP19A1CYP11B2
SCHEMBL6398917 0.76 OPRL1 (0.43) OPRL1KCNH2CYP19A1CYP11B2
SCHEMBL14638591 0.73 HTR2A (0.41) OPRL1KCNH2
SCHEMBL7839214 0.72 KDM4E (0.44)
SCHEMBL23343747 0.72 OPRL1 (0.37) OPRL1KCNH2
SCHEMBL14012293 0.72 ANPEP (0.43) OPRL1KCNH2

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-8933231-B2 Organic compounds GIVAUDAN SA 2015-01-13 US disclosed
US-20130129655-A1 Organic Compounds GIVAUDAN SA (CH) 2013-05-23 US disclosed
EP-2584916-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2013-05-01 EP disclosed
WO-2011160254-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 WO disclosed
WO-2011161163-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-12-29 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 (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-20130129655-A1 Organic Compounds C9, C5, TRPA1 OPRL1 79/4885KCNH2 165/4885CYP19A1 240/4885

“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.