SCHEMBL3177062

SCHEMBL3177062

CCCCc1ccc(C(N)=O)cc1.O=C(O)N1CCCN(C(=O)CCC2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.62
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ SPHK1 Q9NYA1 3/20 0.41
▸ SPHK2 Q9NRA0 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ TPSD1 Q9BZJ3 1/20 0.41
▸ TPSG1 Q9NRR2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40

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
SCHEMBL3177069 0.90 CNR2 (0.64) CNR2MAPK1KDM4ECNR1LMNA
SCHEMBL3177065 0.79 CNR2 (0.94) CNR2CNR1LMNASMN1; SMN2
SCHEMBL10253120 0.76 CNR2 (1.00) CNR2CNR1LMNASMN1; SMN2
SCHEMBL2679182 0.76 TP53 (0.58) CNR2MAPK1ATMCNR1TPSAB1
SCHEMBL10257398 0.76 CNR2 (0.98) CNR2CNR1SMN1; SMN2HSD11B1
SCHEMBL10257403 0.73 CNR2 (0.94) CNR2CNR1SMN1; SMN2HSD11B1
SCHEMBL2678633 0.72 TP53 (0.66) CNR2MAPK1KDM4EATMCNR1
SCHEMBL607614 0.71 RARB (0.62) SMN1; SMN2
SCHEMBL2677070 0.70 HSD11B1 (0.65) CNR2MAPK1KDM4EATMCNR1
Terephthalamide SCHEMBL675785 0.70 L3MBTL1 (0.69) ATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 — — US claimed

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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CYP2C9 1301/4885CYP2J2 214/4885

“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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