SCHEMBL14299751

SCHEMBL14299751

CC1[C@@H](C)N(C(=O)OCc2ccccc2)C(=O)N1CCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.42
HTR2A P28223 5/20 0.42
ADRA1A P35348 5/20 0.42
HRH1 P35367 5/20 0.42
DRD3 P35462 5/20 0.42
CACNA1F O60840 4/20 0.42
DRD4 P21917 4/20 0.42
DRD5 P21918 4/20 0.42
HRH2 P25021 4/20 0.42
ADRA1D P25100 4/20 0.42
HTR7 P34969 4/20 0.42
ADRA1B P35368 4/20 0.42
OPRM1 P35372 4/20 0.42
HTR6 P50406 4/20 0.42
CACNA1D Q01668 4/20 0.42
CACNA1S Q13698 4/20 0.42
CACNA1C Q13936 4/20 0.42
OPRK1 P41145 4/20 0.42
ADORA3 P0DMS8 4/20 0.42
HTR2C P28335 3/20 0.42

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
SCHEMBL4289692 0.85 SLC6A3 (0.43) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL8236341 0.85 SLC6A3 (0.43) SLC6A3HTR2AADRA1AHRH1DRD3
SCHEMBL7264075 0.67 ACE (0.53) HTR2CRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7264101 0.67 ACE (0.53) HTR2CRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20701593 0.66 FKBP1A (0.47) HTR2CRAB9ASMN1; SMN2
SCHEMBL31107769 0.66 FKBP1A (0.47) HTR2CRAB9ASMN1; SMN2
SCHEMBL15134222 0.66 FKBP1A (0.47) HTR2CRAB9ASMN1; SMN2
SCHEMBL10387196 0.65 HTR2C (0.51) HTR2CRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10387195 0.65 HTR2C (0.51) HTR2CRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8233700 0.65 HTR2C (0.53) HTR2CMAPK1RAB9AMEN1KMT2A

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-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2012-12-20 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-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D SLC6A3 640/4885HTR2A 2172/4885ADRA1A 399/4885

“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.