SCHEMBL9891507

SCHEMBL9891507

CC(C)(C)C1CCN1c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.49
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 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
SCHEMBL20458240 0.84 HRH3 (0.49) HRH3KCNH2KDM4ETP53CYP2A6
SCHEMBL3486555 0.78 HRH3 (0.43) HRH3KCNH2ALDH1A1
SCHEMBL9891499 0.77 CNR2 (0.36)
SCHEMBL9891508 0.77 HRH3 (0.45) HRH3KDM4EALDH1A1
SCHEMBL3335248 0.75 AR (0.54) HRH3KCNH2KDM4ETP53
SCHEMBL18235925 0.74 KDM4E (0.42) HRH3KCNH2KDM4ETP53ALDH1A1
SCHEMBL20458191 0.73 HRH3 (0.52) HRH3KCNH2KDM4ETP53
SCHEMBL9892911 0.73 HRH3 (0.53) HRH3KCNH2KDM4ETP53
SCHEMBL5652441 0.72 HRH3 (0.39) HRH3KCNH2
SCHEMBL2391087 0.72 AR (0.51) HRH3KCNH2KDM4ETP53

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-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HRH3 153/4885KCNH2 825/4885KDM4E 1578/4885

“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.