SCHEMBL9891499

SCHEMBL9891499

CC(C)(C)C1CCN1c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.36
CNR1 P21554 3/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.35
FFAR1 O14842 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL9891821 0.89 CNR2 (0.43) CNR2CNR1KMT2ACYP2C8CYP2C9
SCHEMBL16253027 0.88 CNR2 (0.44) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL9891508 0.81 HRH3 (0.45) KMT2ANOTUM
SCHEMBL9891507 0.77 HRH3 (0.49)
SCHEMBL20458224 0.75 PSEN1 (0.40) KMT2AHTR3EHTR3BADRB1HTR3A
SCHEMBL9891887 0.73 CNR2 (0.45) CNR2CNR1KMT2ACYP2C8CYP2C9
SCHEMBL24775523 0.70 LMNA (0.44) KMT2AFFAR1
SCHEMBL9892854 0.70 PSEN1 (0.44) KMT2AHTR3EHTR3BADRB1HTR3A
SCHEMBL13015211 0.70 KMT2A (0.36) KMT2AHTR3EHTR3BADRB1HTR3A
SCHEMBL9891844 0.69 CNR2 (0.45) CNR2CNR1KMT2ACYP2C8CYP2C19

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 CNR2 1/4885CNR1 2/4885KMT2A 1863/4885

“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.