SCHEMBL3608614

SCHEMBL3608614

COc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2CO)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.59
HTT P42858 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
TGFBR1 P36897 1/20 0.47
GRIN2B Q13224 4/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL3610381 0.91 CCR3 (0.50) CCR3MAPTFAAH
SCHEMBL3592513 0.88 ALDH1A1 (0.47) CCR3RAB9AALDH1A1MAPTTSHR
SCHEMBL3604179 0.87 CCR3 (0.46) CCR3LMNAMAPTFAAH
SCHEMBL3601902 0.87 ALDH1A1 (0.47) CCR3NPC1RAB9APOLBALDH1A1
SCHEMBL3609998 0.87 PARP14 (0.48) CCR3HTTNPC1RAB9AALDH1A1
SCHEMBL3601798 0.87 CCR3 (0.52) CCR3NPC1POLBALDH1A1MAPT
SCHEMBL3605934 0.87 NAMPT (0.48) CCR3MAPT
SCHEMBL3600238 0.86 USP30 (0.49) CCR3HTTNPC1RAB9AALDH1A1
SCHEMBL3596926 0.86 MAPT (0.51) CCR3LMNAMAPTTSHRGAA
SCHEMBL3615203 0.86 MAPT (0.49) CCR3POLBLMNAMAPTGRIN2B

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 CCR3 2200/4885HTT 880/4885NPC1 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.