SCHEMBL3058402

SCHEMBL3058402

NC(=O)C1CCN1C(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.49
HCRTR1 O43613 9/20 0.48
HCRTR2 O43614 9/20 0.48
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
MLNR O43193 4/20 0.42
CYP3A4 P08684 3/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1398880 0.89 TSHR (0.54) HCRTR1HCRTR2TSHRRECQLSCN1A
SCHEMBL3058143 0.87 HCRTR1 (0.49) HCRTR1HCRTR2TSHRRECQLFPR2
SCHEMBL3063294 0.86 HCRTR2 (0.47) SCN9AHCRTR1HCRTR2CDK4CCND1
SCHEMBL3065362 0.84 MAOB (0.43) CDK4CCND1MEN1ALDH1A1KMT2A
SCHEMBL3309753 0.81 SLC6A4 (0.42) SCN9AHCRTR1HCRTR2SLC6A4SLC6A3
SCHEMBL1398915 0.81 HCRTR1 (0.47) HCRTR1HCRTR2MEN1ALDH1A1KMT2A
SCHEMBL3058405 0.81 HCRTR1 (0.55) HCRTR1HCRTR2SLC6A4SLC6A3CDK4
SCHEMBL4784756 0.80 PDK2 (0.51) SCN9AHCRTR1HCRTR2FPR1FPR2
SCHEMBL3058144 0.79 CDK4 (0.46) HCRTR1HCRTR2CDK4CCND1TSHR
SCHEMBL3063120 0.79 ALDH1A1 (0.49) HCRTR1HCRTR2TSHRCYP3A4ALDH1A1

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 SCN9A 594/4885HCRTR1 2/4885HCRTR2 1/4885

“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.