SCHEMBL1665186

SCHEMBL1665186

CO[C@@H](C)COc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 7/20 0.54
MAOB P27338 7/20 0.54
SRC P12931 1/20 0.45
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CCNB1 P14635 2/20 0.39
CCND1 P24385 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39

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
SCHEMBL1665188 1.00 NPC1 (0.56) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL11385610 0.87 NPC1 (0.56) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL272554 0.87 MAOA (0.57) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL6425705 0.86 TSHR (0.42) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL2205409 0.81 MAOA (0.51) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL18118820 0.81 NPC1 (0.50) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL2206740 0.81 MAOA (0.54) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL11682373 0.81 MAOA (0.45) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL11387681 0.80 NPC1 (0.52) NPC1RAB9ATDP1MAOAMAOB
SCHEMBL5001874 0.80 NPC1 (0.52) NPC1RAB9ATDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242987-B2 Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors CELLZOME LIMITED (GB) 2016-01-26 US disclosed
US-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2012-10-04 US disclosed
EP-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 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-20120252779-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS JAK1, JAK3, JAK2 NPC1 3936/4885RAB9A 1897/4885TDP1 2346/4885

“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.