SCHEMBL3601230

SCHEMBL3601230

OC1CCN(c2nnc(Br)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
GLS O94925 4/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3603369 0.79 ALDH1A1 (0.69) HRH3ALDH1A1MAPK1KDM4ENPC1
SCHEMBL12177990 0.79 HRH3 (0.49) HRH3ALDH1A1MAPK1KDM4ENPC1
SCHEMBL21725173 0.79 KDM4E (0.46) ALDH1A1MAPK1KDM4ENPC1HPGD
SCHEMBL21737996 0.78 ALDH1A1 (0.41) HRH3ALDH1A1MAPK1KDM4ENPC1
SCHEMBL2562240 0.78 SMN1; SMN2 (0.50) KDM4ENPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL21725122 0.77 ALDH1A1 (0.57) HRH3ALDH1A1MAPK1KDM4ENPC1
SCHEMBL21737951 0.75 ALDH1A1 (0.61) HRH3ALDH1A1MAPK1NPC1RAB9A
SCHEMBL2377170 0.75 HRH3 (0.64) HRH3
SCHEMBL357762 0.75 MEN1 (0.44) HRH3ALDH1A1MAPK1KDM4ENPC1
SCHEMBL21738052 0.75 HRH3 (0.40) HRH3ALDH1A1MAPK1KDM4ENPC1

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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 HRH3 4665/4885ALDH1A1 400/4885MAPK1 1248/4885

“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.