SCHEMBL20354579

SCHEMBL20354579

CNC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.58
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
GPR119 Q8TDV5 7/20 0.53
S1PR2 O95136 1/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
P2RY14 Q15391 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SCD O00767 1/20 0.47
SCD5 Q86SK9 1/20 0.47
STS P08842 1/20 0.46

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
SCHEMBL1199259 0.89 NAMPT (0.57) NAMPTKMT2AKDM4EPKMGPR119
SCHEMBL4181896 0.88 HDAC4 (0.57) NAMPTKMT2AKDM4EPKMGPR119
SCHEMBL1198897 0.86 NAMPT (0.60) NAMPTKMT2AKDM4EPKMGPR119
SCHEMBL4088593 0.85 NAMPT (0.54) NAMPTKMT2AKDM4EPKMGPR119
SCHEMBL226854 0.85 NAMPT (0.59) NAMPTKMT2AKDM4EPKMGPR119
SCHEMBL22564659 0.85 GPR119 (0.67) NAMPTKMT2AKDM4EPKMGPR119
SCHEMBL557627 0.84 KDM4E (0.73) NAMPTKMT2AKDM4EPKMGPR119
SCHEMBL229512 0.84 NAMPT (0.58) NAMPTKMT2AKDM4EGPR119DDB1
SCHEMBL6132207 0.84 GPR119 (0.67) NAMPTKMT2AKDM4EGPR119DDB1
SCHEMBL6917548 0.84 NAMPT (0.67) NAMPTKDM4EGPR119DDB1CRBN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186787-A1 PHARMACEUTICAL COMPOUND MERCK SHARP & DOHME CORP. (US) 2018-07-05 US 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-20180186787-A1 PHARMACEUTICAL COMPOUND TDO2, IDO2, IDO1 NAMPT 230/4885KMT2A 1222/4885KDM4E 875/4885

“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.