SCHEMBL3597942

SCHEMBL3597942

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc3c(c2)CCO3)C(CO)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GPR119 Q8TDV5 2/20 0.44
FAAH O00519 1/20 0.42
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 2/20 0.39
MAPT P10636 3/20 0.39
CCR3 P51677 1/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL3603606 0.86 NPC1 (0.61) NPC1RAB9AGPR119ALDH1A1SMN1; SMN2
SCHEMBL3605966 0.81 MEN1 (0.48) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3602513 0.81 MEN1 (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3602653 0.80 GPR119 (0.48) NPC1RAB9AGPR119ALDH1A1MEN1
SCHEMBL3599783 0.80 MEN1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL3602857 0.80 MEN1 (0.48) NPC1RAB9AMEN1KMT2ANAMPT
SCHEMBL3605934 0.80 NAMPT (0.48) GPR119MEN1KMT2ANAMPTMAPT
SCHEMBL3592513 0.79 ALDH1A1 (0.47) RAB9AGPR119FAAHALDH1A1SMN1; SMN2
SCHEMBL3600141 0.79 MEN1 (0.42) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL3607841 0.79 NPC1 (0.46) NPC1RAB9AFAAHALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A NPC1 3763/4885RAB9A 2668/4885GPR119 268/4885

“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.