SCHEMBL3607841

SCHEMBL3607841

CCc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 5/20 0.46
EPHX2 P34913 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
NAMPT P43490 2/20 0.44
CNR2 P34972 1/20 0.44
STAT1 P42224 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CCR3 P51677 1/20 0.42
MEN1 O00255 2/20 0.42
ABL1 P00519 1/20 0.42
POLB P06746 1/20 0.42
RIN1 Q13671 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3602520 0.89 ATM (0.54) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL3599783 0.88 MEN1 (0.47) NPC1RAB9AKMT2AMAPTEPHX2
SCHEMBL3605934 0.88 NAMPT (0.48) KMT2AMAPTEPHX2PTPN2PTPN1
SCHEMBL3600238 0.88 USP30 (0.49) NPC1RAB9AKMT2AMAPTEPHX2
SCHEMBL3602653 0.87 GPR119 (0.48) NPC1RAB9AKMT2AMAPTEPHX2
SCHEMBL3605966 0.84 MEN1 (0.48) NPC1RAB9AKMT2AMAPTEPHX2
SCHEMBL3602513 0.84 MEN1 (0.55) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL3603606 0.83 NPC1 (0.61) NPC1RAB9AKMT2AMAPTEPHX2
SCHEMBL3606325 0.82 TAAR1 (0.46) KMT2AMAPTNAMPTATMALDH1A1
SCHEMBL3602857 0.82 MEN1 (0.48) NPC1RAB9AKMT2AMAPTEPHX2

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 2668/4885KMT2A 967/4885

“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.