SCHEMBL3601902

SCHEMBL3601902

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)C(CO)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP30 Q70CQ3 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 1/20 0.46
CCR3 P51677 1/20 0.46
GAA P10253 1/20 0.46
ANO1 Q5XXA6 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STS P08842 1/20 0.44

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
SCHEMBL3592513 0.89 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2AUSP30
SCHEMBL3604179 0.88 CCR3 (0.46) MEN1KMT2AUSP30MAPTCCR3
SCHEMBL3609998 0.88 PARP14 (0.48) ALDH1A1MEN1KMT2AUSP30MAPT
SCHEMBL3601798 0.88 CCR3 (0.52) ALDH1A1TSHRMEN1KMT2AUSP30
SCHEMBL3599783 0.88 MEN1 (0.47) ALDH1A1MEN1KMT2AUSP30NPSR1
SCHEMBL3605934 0.88 NAMPT (0.48) MEN1KMT2AUSP30MAPTCCR3
SCHEMBL3600238 0.87 USP30 (0.49) ALDH1A1HPGDMEN1KMT2AUSP30
SCHEMBL3608614 0.87 CCR3 (0.59) ALDH1A1TSHRMAPTL3MBTL1MAPK1
SCHEMBL3602513 0.87 MEN1 (0.55) MEN1KMT2ANPSR1MAPTNPC1
SCHEMBL3596926 0.87 MAPT (0.51) TSHRMEN1KMT2AUSP30MAPT

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 ALDH1A1 1162/4885TSHR 383/4885HPGD 1622/4885

“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.