SCHEMBL3601426

SCHEMBL3601426

COC(=O)c1ccc(-c2ccc(N3CCC(O)CC3)nc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
KMT2A Q03164 1/20 0.57
HRH3 Q9Y5N1 4/20 0.53
CRBN Q96SW2 4/20 0.50
OGA O60502 1/20 0.46
DDB1 Q16531 2/20 0.46
CNR2 P34972 1/20 0.43
AOC3 Q16853 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.42
HDAC2 Q92769 1/20 0.42
CETP P11597 1/20 0.42
MAPK1 P28482 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL1095809 0.92 RAB9A (0.66) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL3607557 0.83 HRH3 (0.54) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL3601430 0.82 OPRK1 (0.50)
SCHEMBL18555777 0.80 RAB9A (0.64) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL3608747 0.80 SCD (0.67) RAB9ANPC1KMT2AHRH3
SCHEMBL3895677 0.78 RAB9A (0.72) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL25141661 0.78 NPC1 (0.62) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL13059656 0.77 RAB9A (0.60) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL7326778 0.77 RAB9A (0.71) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL12734207 0.77 HRH3 (0.57) RAB9ANPC1KMT2AHRH3AOC3

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 RAB9A 1922/4885NPC1 264/4885KMT2A 2859/4885

“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.