SCHEMBL4100656

SCHEMBL4100656

O=C(c1ccccc1C(F)(F)F)N1CCN(c2nc3ccccc3o2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.62
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HCAR2 Q8TDS4 1/20 0.56
SCD O00767 3/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.54
RBP4 P02753 1/20 0.53
GBA1 P04062 1/20 0.51
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50

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
SCHEMBL3585561 0.79 LMNA (0.75) NAAALMNAHTTSMN1; SMN2GAA
SCHEMBL2200417 0.79 LMNA (0.57) NAAALMNAHTTSMN1; SMN2HCAR2
SCHEMBL5318590 0.78 GAA (0.67) NAAALMNAHTTSMN1; SMN2HCAR2
SCHEMBL24735 0.77 SCD (0.57) SCDGBA1
SCHEMBL19630535 0.77 NAAA (1.00) NAAALMNAHTTSMN1; SMN2HCAR2
SCHEMBL880471 0.75 GAA (0.64) NAAALMNAHTTSMN1; SMN2HCAR2
SCHEMBL95385 0.75 LMNA (0.73) NAAALMNAHTTSMN1; SMN2HCAR2
SCHEMBL4097883 0.75 NPC1 (0.67) NAAALMNAHTTSMN1; SMN2SCD
SCHEMBL4322313 0.74 NAAA (0.63) NAAALMNAHTTSMN1; SMN2HCAR2
SCHEMBL21103189 0.73 NAAA (0.71) NAAALMNATSHR

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 5 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
EP-1902051-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-03-26 EP disclosed
WO-2006130986-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2006-12-14 WO 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 NAAA 541/4885LMNA 983/4885HTT 3768/4885

“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.