SCHEMBL3600141

SCHEMBL3600141

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc3sccc3c2)C(CO)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
CCR3 P51677 1/20 0.39
HTR2C P28335 1/20 0.38
NAMPT P43490 3/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
F13A1 P00488 3/20 0.37
TGM2 P21980 3/20 0.37
TGM1 P22735 3/20 0.37
TGM3 Q08188 1/20 0.37
USP30 Q70CQ3 2/20 0.37
ACKR3 P25106 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL3602513 0.84 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3605966 0.82 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3603606 0.81 NPC1 (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3599783 0.81 MEN1 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3602857 0.80 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3605934 0.80 NAMPT (0.48) MEN1KMT2AMAPTCCR3NAMPT
SCHEMBL3592513 0.80 ALDH1A1 (0.47) MEN1KMT2ARAB9AMAPTCCR3
SCHEMBL3607841 0.80 NPC1 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3609998 0.79 PARP14 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3601798 0.79 CCR3 (0.52) MEN1KMT2ANPC1MAPTCCR3

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 MEN1 1716/4885KMT2A 967/4885NPC1 3763/4885

“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.