SCHEMBL3058405

SCHEMBL3058405

NCC1CCN1C(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.55
HCRTR2 O43614 11/20 0.55
MLNR O43193 4/20 0.44
CYP3A4 P08684 3/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
HTR2C P28335 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 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
SCHEMBL1398831 0.90 HCRTR1 (0.57) HCRTR1HCRTR2TSHRRECQLSCN1A
SCHEMBL1398834 0.90 HCRTR1 (0.57) HCRTR1HCRTR2TSHRRECQLSCN1A
SCHEMBL3058145 0.88 HCRTR1 (0.48) HCRTR1HCRTR2TSHRRECQLSCN1A
SCHEMBL3063297 0.87 HCRTR2 (0.50) HCRTR1HCRTR2CDK4CCND1
SCHEMBL3065365 0.85 HCRTR1 (0.42) HCRTR1HCRTR2CDK4CCND1
SCHEMBL20040364 0.82 HCRTR1 (0.64) HCRTR1HCRTR2TSHRRECQLSCN1A
SCHEMBL3311710 0.82 HCRTR1 (0.45) HCRTR1HCRTR2MLNRCYP3A4SLC6A4
SCHEMBL1398919 0.82 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3058402 0.81 SCN9A (0.49) HCRTR1HCRTR2MLNRCYP3A4SLC6A4
SCHEMBL4784760 0.80 HCRTR1 (0.53) 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 HCRTR1 2/4885HCRTR2 1/4885MLNR 144/4885

“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.