SCHEMBL3607557

SCHEMBL3607557

COC(=O)c1ccc(-c2ccc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)nc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CRBN Q96SW2 4/20 0.44
OGA O60502 1/20 0.41
DDB1 Q16531 2/20 0.41
CETP P11597 1/20 0.40
DGAT1 O75907 1/20 0.40

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
SCHEMBL3607561 0.85 OPRK1 (0.45) HRH3
SCHEMBL3601426 0.83 RAB9A (0.57) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL5760417 0.81 HRH3 (0.61) HRH3NPC1RAB9A
SCHEMBL3608747 0.77 SCD (0.67) HRH3NPC1RAB9AKMT2A
SCHEMBL1095809 0.75 RAB9A (0.66) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL2224165 0.74 HRH3 (0.60) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL18555777 0.74 RAB9A (0.64) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL1665317 0.73 NPC1 (0.49) HRH3NPC1RAB9AKMT2A
SCHEMBL2144127 0.73 HRH3 (0.40) HRH3OGA
SCHEMBL3608739 0.73 AKR1C3 (0.42) HRH3OGA

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 HRH3 4665/4885NPC1 264/4885RAB9A 1922/4885

“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.