SCHEMBL2992353

SCHEMBL2992353

CN(C)CCNC(=O)c1cc[c]c(C(N)=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CHEK2 O96017 1/20 0.39
SCN9A Q15858 1/20 0.39
RAD52 P43351 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2993763 0.93 POLB (0.49) POLBHTTSMN1; SMN2ALDH1A1MALT1
SCHEMBL3000778 0.83 MALT1 (0.38) MAPK1ALDH1A1CYP2D6MALT1ALOX15
SCHEMBL2995948 0.81 LMNA (0.40) SMN1; SMN2ALDH1A1ALOX15KDM4E
SCHEMBL2996780 0.81 LMNA (0.42) SMN1; SMN2MALT1KDM4EHSD17B10
SCHEMBL4072626 0.80 HRH3 (0.47) HRH4HRH3
SCHEMBL12247948 0.76 LMNA (0.57) POLBHTTSMN1; SMN2MAPK1HTR2C
SCHEMBL3212176 0.75 CYP2D6 (0.44) HTTSMN1; SMN2MAPK1HTR2CALDH1A1
SCHEMBL2996971 0.74 USP2 (0.46) POLBPARP1HTTSMN1; SMN2MAPK1
SCHEMBL3313834 0.73 HRH3 (0.45) PARP1HRH3CHEK2
SCHEMBL3002690 0.72 PIM1 (0.39) POLBPARP1ALDH1A1SCN9AKDM4E

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 POLB 3173/4885PARP1 2549/4885HTT 2728/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 POLB 3173/4885PARP1 2549/4885HTT 2728/4885

“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.