SCHEMBL13615450

SCHEMBL13615450

CCOC(=O)c1c(-c2cccc(F)c2)nsc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.53
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL3407583 0.84 ALDH1A1 (0.64) TRPM8ALDH1A1MAPTHPGDKDM4E
SCHEMBL3404515 0.84 ADORA3 (0.58) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL4336601 0.83 DHODH (0.44) TRPM8KDM4ECSNK1DSMN1; SMN2DHODH
SCHEMBL20028222 0.81 TRPM8 (0.54) TRPM8JAK2JAK3ALDH1A1MAPT
SCHEMBL20080016 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL1776068 0.78 GPBAR1 (0.59) TRPM8JAK2JAK3ALDH1A1HPGD
SCHEMBL3404286 0.77 JAK2 (0.48) JAK2JAK3ALDH1A1MAPTHPGD
SCHEMBL16877267 0.77 JAK2 (0.49) TRPM8JAK2JAK3ALDH1A1MAPT
SCHEMBL24287864 0.76 HTT (0.57) ALDH1A1MAPTHPGDKDM4ENPC1
SCHEMBL3400194 0.76 PRKCZ (0.52) TRPM8ALDH1A1MAPTHPGDKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 TRPM8 2687/4885JAK2 4840/4885JAK3 4847/4885

“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.