SCHEMBL3177069

SCHEMBL3177069

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.64
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL3177062 0.90 CNR2 (0.62) CNR2MAPK1KDM4ECNR1LMNA
SCHEMBL3177065 0.81 CNR2 (0.94) CNR2CNR1LMNASMN1; SMN2ALDH1A1
SCHEMBL10253120 0.78 CNR2 (1.00) CNR2CNR1LMNASMN1; SMN2ALDH1A1
SCHEMBL2679182 0.77 TP53 (0.58) CNR2MAPK1CNR1LMNASMN1; SMN2
SCHEMBL10257398 0.77 CNR2 (0.98) CNR2CNR1SMN1; SMN2HSD11B1ALDH1A1
SCHEMBL4600115 0.75 MAOB (0.44) KDM4EALDH1A1
SCHEMBL10257403 0.75 CNR2 (0.94) CNR2CNR1SMN1; SMN2HSD11B1ALDH1A1
SCHEMBL15954401 0.74 MAOB (0.47) —
SCHEMBL6966882 0.73 NPC1 (0.57) —
SCHEMBL2678633 0.73 TP53 (0.66) CNR2MAPK1KDM4ECNR1LMNA

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 1/4885MAPK1 1130/4885KDM4E 3926/4885

“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.

Send feedback