SCHEMBL2092020

SCHEMBL2092020

CCOC(=O)c1cn(C(C)(C)C)c2nc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TRPV1 Q8NER1 2/20 0.38
PDE10A Q9Y233 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SUV39H2 Q9H5I1 4/20 0.37

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
SCHEMBL2093718 1.00 OPRK1 (0.40) OPRK1KMT2AKDM4EALDH1A1HPGD
SCHEMBL10390924 0.90 OPRK1 (0.40) OPRK1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2095446 0.85 KMT2A (0.44) OPRK1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2093489 0.85 MAP4K4 (0.43) PDE10APIM1PIM3PIM2SUV39H2
SCHEMBL2093348 0.82 SUV39H2 (0.40) TRPV1PDE10ASUV39H2
SCHEMBL2093152 0.82 SUV39H2 (0.40) TRPV1PDE10ASUV39H2
SCHEMBL2093691 0.82 LMNA (0.48) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2094400 0.81 LMNA (0.42) OPRK1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9204536 0.81 DPP4 (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9204530 0.81 DPP4 (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10

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-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 OPRK1 752/4885KMT2A 4682/4885KDM4E 4269/4885

“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.