SCHEMBL3602653

SCHEMBL3602653

CSc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.48
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
NAMPT P43490 4/20 0.43
EPHX2 P34913 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 2/20 0.39
RIN1 Q13671 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR3 P51677 1/20 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
SCHEMBL3596926 0.88 MAPT (0.51) GPR119MAPTEPHX2MEN1KMT2A
SCHEMBL3599783 0.88 MEN1 (0.47) MAPTALDH1A1PTPN2PTPN1PTPN6
SCHEMBL3605934 0.87 NAMPT (0.48) GPR119MAPTPTPN2PTPN1PTPN6
SCHEMBL3607841 0.87 NPC1 (0.46) MAPTALDH1A1PTPN2PTPN1PTPN6
SCHEMBL3602520 0.84 ATM (0.54) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL3602014 0.83 NAMPT (0.42) GPR119NAMPTEPHX2MEN1KMT2A
SCHEMBL3605966 0.83 MEN1 (0.48) MAPTALDH1A1PTPN2PTPN1PTPN6
SCHEMBL3602513 0.83 MEN1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL3603606 0.82 NPC1 (0.61) GPR119MAPTALDH1A1PTPN2PTPN1
SCHEMBL3602857 0.81 MEN1 (0.48) MAPTPTPN2PTPN1PTPN6NAMPT

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 GPR119 268/4885MAPT 3961/4885ALDH1A1 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.