SCHEMBL3063124

SCHEMBL3063124

Cc1ccccc1-c1ccccc1C(=O)N1CCC1CN

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HCRTR1 O43613 9/20 0.41
HCRTR2 O43614 9/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
PIK3CD O00329 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
PLA2G7 Q13093 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3058145 0.85 HCRTR1 (0.48) ALDH1A1HCRTR1HCRTR2LMNATSHR
SCHEMBL3065365 0.84 HCRTR1 (0.42) TP53KDM4EHCRTR1HCRTR2CYP2C9
SCHEMBL1398919 0.84 HCRTR1 (0.47) TP53HCRTR1HCRTR2LMNA
SCHEMBL1398834 0.84 HCRTR1 (0.57) HCRTR1HCRTR2LMNATSHR
SCHEMBL1398831 0.84 HCRTR1 (0.57) HCRTR1HCRTR2LMNATSHR
SCHEMBL3058147 0.82 MEN1 (0.48) ALDH1A1HCRTR1HCRTR2LMNA
SCHEMBL3063120 0.80 ALDH1A1 (0.49) TP53KDM4EALDH1A1HCRTR1HCRTR2
SCHEMBL3058405 0.80 HCRTR1 (0.55) HCRTR1HCRTR2CYP3A4TSHR
SCHEMBL3070988 0.77 HTT (0.52) KDM4EALDH1A1CYP2C9CYP2C19HTT
SCHEMBL3063297 0.77 HCRTR2 (0.50) HCRTR1HCRTR2

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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R TP53 4881/4885KDM4E 903/4885ALDH1A1 1961/4885

“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.