SCHEMBL3606124

SCHEMBL3606124

CCOC(=O)c1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NPY2R P49146 1/20 0.47
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.45
PARP14 Q460N5 1/20 0.44
ATM Q13315 1/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
CCR3 P51677 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 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 0.90 ATM (0.54) MAPTRAB9APOLBATMALDH1A1
SCHEMBL3609998 0.90 PARP14 (0.48) MAPTRAB9APARP14ATMEPHX2
SCHEMBL3600238 0.87 USP30 (0.49) MAPTRAB9ATP53PARP14EPHX2
SCHEMBL3592513 0.87 ALDH1A1 (0.47) MAPTRAB9AALDH1A1KMT2ATSHR
SCHEMBL3615203 0.84 MAPT (0.49) MAPTPOLBEPHX2KMT2ACCR3
SCHEMBL3601902 0.84 ALDH1A1 (0.47) MAPTRAB9APOLBALDH1A1KMT2A
SCHEMBL3604179 0.84 CCR3 (0.46) MAPTTP53PARP14EPHX2KMT2A
SCHEMBL3601798 0.84 CCR3 (0.52) MAPTPOLBALDH1A1KMT2ATSHR
SCHEMBL3605934 0.84 NAMPT (0.48) MAPTPKMEPHX2KMT2ACCR3
SCHEMBL3608614 0.83 CCR3 (0.59) MAPTRAB9APOLBALDH1A1TSHR

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 MAPT 3961/4885NPY2R 48/4885RAB9A 2668/4885

“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.