SCHEMBL4097883

SCHEMBL4097883

O=C(c1ccccc1C(F)(F)F)N1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
SCD O00767 4/20 0.64
NAAA Q02083 2/20 0.62
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HTT P42858 2/20 0.62
RAB9A P51151 4/20 0.61
TP53 P04637 1/20 0.58
ALOX15 P16050 2/20 0.56
TSHR P16473 2/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.56
RBP4 P02753 1/20 0.53

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
SCHEMBL4252683 0.81 SCD (0.55) SCD
SCHEMBL2200579 0.81 MAPT (0.74) NPC1NAAAMAPTSMN1; SMN2LMNA
SCHEMBL5110011 0.80 SCD (0.76) SCD
SCHEMBL26829036 0.79 NAAA (0.80) NPC1NAAAMAPTSMN1; SMN2LMNA
SCHEMBL25083 0.78 SCD (0.66) SCD
SCHEMBL4092883 0.78 SCD (0.78) SCD
SCHEMBL4097089 0.78 SCD (1.00) SCDRBP4
SCHEMBL25626 0.77 SCD (0.69) SCD
SCHEMBL25775 0.77 SCD (1.00) SCD
SCHEMBL19617803 0.77 NAAA (1.00) NPC1NAAAMAPTSMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 US disclosed
US-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-16 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-20090099200-A1 Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 NPC1 452/4885SCD 1/4885NAAA 541/4885

“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.