SCHEMBL3602513

SCHEMBL3602513

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)C(CO)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
TGM3 Q08188 1/20 0.46
CCR2 P41597 9/20 0.45
KCNH2 Q12809 8/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRK1 P41145 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3599783 0.89 MEN1 (0.47) MEN1KMT2AMAPTHTTNPSR1
SCHEMBL3601902 0.87 ALDH1A1 (0.47) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL3605966 0.86 MEN1 (0.48) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL3603606 0.85 NPC1 (0.61) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3602857 0.84 MEN1 (0.48) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL3605934 0.84 NAMPT (0.48) MEN1KMT2AMAPT
SCHEMBL3592513 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL3600141 0.84 MEN1 (0.42) MEN1KMT2AF13A1TGM2TGM1
SCHEMBL3607841 0.84 NPC1 (0.46) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3601798 0.83 CCR3 (0.52) MEN1KMT2AMAPTNPSR1NPC1

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 967/4885F13A1 2678/4885

“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.