SCHEMBL14959461

SCHEMBL14959461

COC(=O)N1Cc2ccc(N3CCN(C)CC3)cc2C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 10/20 0.66
SIGMAR1 Q99720 10/20 0.66
HRH1 P35367 4/20 0.66
HRH3 Q9Y5N1 4/20 0.66
HRH2 P25021 3/20 0.66
HTR1A P08908 2/20 0.66
ADRA2C P18825 2/20 0.66
ADRA2A P08913 1/20 0.66
ADRA2B P18089 1/20 0.66
DRD1 P21728 1/20 0.66
HTR1B P28222 1/20 0.66
HTR2A P28223 1/20 0.66
HTR2C P28335 1/20 0.66
HTR1E P28566 1/20 0.66
SLC6A4 P31645 1/20 0.66
HTR2B P41595 1/20 0.66
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ABHD6 Q9BV23 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL14959464 0.86 ABHD6 (0.68) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL12187763 0.86 TMEM97 (0.74) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL383293 0.85 TMEM97 (0.62) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL8203152 0.84 TMEM97 (0.63) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL20983740 0.82 ABHD6 (0.82) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL17321366 0.81 TMEM97 (0.57) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL19521478 0.80 TMEM97 (1.00) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL12572451 0.78 TMEM97 (0.56) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL3873145 0.75 ABHD6 (0.65) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL38652842 0.75 ABHD6 (0.62) TMEM97SIGMAR1HRH1HRH3HRH2

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-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-06-13 US disclosed
US-8445527-B2 Organic compounds and their uses NOVARTIS AG (CH) 2013-05-21 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-20130149281-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, HAVCR2, CPT1A TMEM97 685/4885SIGMAR1 258/4885HRH1 2979/4885

“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.