SCHEMBL3602520

SCHEMBL3602520

CCOC(=O)c1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
RIN1 Q13671 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3606124 0.90 MAPT (0.49) ATMRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3607841 0.89 NPC1 (0.46) ATMRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3599783 0.86 MEN1 (0.47) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3605934 0.86 NAMPT (0.48) MAPTMEN1KMT2AKDM4E
SCHEMBL32660726 0.84 ALDH1A1 (0.70) ATMRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3602653 0.84 GPR119 (0.48) RAB9AALDH1A1NPC1MAPTMEN1
SCHEMBL3606960 0.84 KMT2A (0.58) ALDH1A1SMN1; SMN2MAPTNPSR1MEN1
SCHEMBL3600238 0.82 USP30 (0.49) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3602857 0.82 MEN1 (0.48) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3605966 0.81 MEN1 (0.48) RAB9AALDH1A1NPC1MAPTMEN1

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 ATM 4001/4885RAB9A 2668/4885ALDH1A1 1162/4885

“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.