SCHEMBL3597879

SCHEMBL3597879

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2Cl)C(CO)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
GAA P10253 3/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP30 Q70CQ3 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NAMPT P43490 1/20 0.43
FAAH O00519 1/20 0.42
MAPK8 P45983 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL3606325 0.88 TAAR1 (0.46) TSHRUSP30KMT2AMEN1MAPT
SCHEMBL3602014 0.87 NAMPT (0.42) USP30KMT2AMEN1KDM4ENAMPT
SCHEMBL3605934 0.85 NAMPT (0.48) USP30KMT2AMEN1MAPTKDM4E
SCHEMBL3606960 0.84 KMT2A (0.58) GAAKMT2AMEN1MAPTKDM4E
SCHEMBL3599783 0.83 MEN1 (0.47) P2RX7USP30KMT2AMEN1MAPT
SCHEMBL3602513 0.83 MEN1 (0.55) KMT2AMEN1MAPTLMNATP53
SCHEMBL3601902 0.82 ALDH1A1 (0.47) GAATSHRPOLBUSP30KMT2A
SCHEMBL31248242 0.81 USP30 (0.52) CYP2C19USP30KMT2AMEN1MAPT
SCHEMBL3592513 0.79 ALDH1A1 (0.47) TSHRUSP30KMT2AMEN1MAPT
SCHEMBL3607841 0.78 NPC1 (0.46) POLBKMT2AMEN1MAPTSMN1; SMN2

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 P2RX7 127/4885GAA 4809/4885TSHR 383/4885

“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.