SCHEMBL12827890

SCHEMBL12827890

C=C(C)c1cc(NC(=O)C(C)(C)Sc2ccc(C#N)cc2F)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 8/20 0.43
▸ EGLN2 Q96KS0 2/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ PDK1 Q15118 3/20 0.33
▸ PDK2 Q15119 3/20 0.33
▸ PDK3 Q15120 2/20 0.32
▸ PDK4 Q16654 2/20 0.32
▸ GPR6 P46095 1/20 0.32
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL1464556 0.85 CNR2 (0.43) SLC22A12
SCHEMBL1464605 0.72 RAB9A (0.47) SLC22A12
SCHEMBL1464615 0.71 SLC22A12 (0.65) SLC22A12PPARA
SCHEMBL1464366 0.71 SLC22A12 (0.42) SLC22A12
SCHEMBL1464739 0.71 CNR1 (0.46) SLC22A12
SCHEMBL12102187 0.70 SLC22A12 (0.51) SLC22A12GPR119PDK1PDK2PDK3
SCHEMBL10066902 0.66 CNR2 (0.56) —
SCHEMBL12827709 0.66 CNR2 (0.46) —
SCHEMBL1464264 0.66 SLC22A12 (0.47) SLC22A12GPR119PPARA
SCHEMBL1464659 0.65 CNR2 (0.58) —

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-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 — — US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 — — 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-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 SLC22A12 3053/4885EGLN2 1448/4885GPR119 69/4885

“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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