SCHEMBL4092350

SCHEMBL4092350

O=C(NCC1CC1)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.73
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 1/20 0.48
DCTPP1 Q9H773 1/20 0.47

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
SCHEMBL4091944 0.92 SCD (0.72) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2296286 0.89 SCD (0.58) SCDHDAC3HDAC4HDAC6CYP2C9
SCHEMBL4094301 0.84 SCD (1.00) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL27165 0.84 SCD (0.73) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL25775 0.82 SCD (1.00) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL29761924 0.81 SCD (1.00) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL3467167 0.81 SCD (1.00) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2290176 0.81 SCD (0.57) SCD
SCHEMBL25348 0.81 SCD (0.80) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL4092696 0.79 SCD (0.84) SCDHDAC3HDAC4HDAC1HDAC7

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 SCD 1/4885HDAC3 429/4885HDAC4 859/4885

“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.