SCHEMBL9892854

SCHEMBL9892854

CCC1CCN1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
FFAR1 O14842 3/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MDM2 Q00987 1/20 0.38
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

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
SCHEMBL9892986 0.89 FFAR1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14724234 0.81 HRH3 (0.45)
SCHEMBL5631902 0.78 SLC6A2 (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL5632800 0.78 SLC6A2 (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL5631907 0.78 SLC6A2 (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL9892911 0.77 HRH3 (0.53) KDM4EELANE
Hydrochloric Acid SCHEMBL27649966 0.77 SLC6A2 (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL5632183 0.77 SLC6A2 (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL5632185 0.77 SLC6A2 (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL19314110 0.75 FFAR1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 3478/4885PSEN2 2234/4885APH1B 1023/4885

“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.