SCHEMBL13638393

SCHEMBL13638393

O=c1[nH]cnc2nc(N3CCC(Cc4ccccc4CF)CC3)sc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.56
IP6K1 Q92551 1/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HRH3 Q9Y5N1 3/20 0.33
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4B O94953 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
NLN Q9BYT8 1/20 0.31

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
SCHEMBL13633491 0.88 SCD (0.54) SCDIP6K1HTR1AHTR7HRH3
SCHEMBL4513108 0.87 SCD (0.68) SCDPIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL13638395 0.83 SCD (0.74) SCD
SCHEMBL13638392 0.68 SCD (0.54) SCD
SCHEMBL13638394 0.67 SCD (0.73) SCD
SCHEMBL21637791 0.65 SCD (0.46) SCDALDH1A1
SCHEMBL4403095 0.58 PDPK1 (0.47) ALDH1A1
SCHEMBL2090604 0.58 MAPT (0.55) ALDH1A1
SCHEMBL16384769 0.57 ALDH1A1 (0.45) SCDALDH1A1
SCHEMBL8818264 0.57 ALDH1A1 (0.41) SCDALDH1A1

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-20090291955-A1 Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-11-26 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-20090291955-A1 Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SCD 1/4885IP6K1 589/4885HTR1A 3061/4885

“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.