SCHEMBL2993763

SCHEMBL2993763

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
ALOX15 P16050 2/20 0.47
SCN9A Q15858 1/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MALT1 Q9UDY8 2/20 0.41
CHUK O15111 1/20 0.40
INSR P06213 1/20 0.40
MAPK8 P45983 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2992353 0.93 POLB (0.41) POLBALOX15SCN9AHTTKDM4E
SCHEMBL2995948 0.85 LMNA (0.40) ALOX15HPGDKDM4EALDH1A1OPRM1
SCHEMBL2996780 0.85 LMNA (0.42) KDM4EMALT1MAPK8LMNASMN1; SMN2
SCHEMBL3000778 0.82 MALT1 (0.38) ALOX15SCN9AHPGDKDM4EALDH1A1
SCHEMBL4072626 0.76 HRH3 (0.47) TMEM97SIGMAR1
SCHEMBL4898537 0.75 CHEK2 (0.42) KDM4EALDH1A1SMN1; SMN2
SCHEMBL3004442 0.75 ALOX15 (0.48) POLBALOX15HPGDHTTKDM4E
SCHEMBL3004623 0.73 HPGD (0.68) POLBHPGDHTTKDM4EALDH1A1
SCHEMBL3313834 0.72 HRH3 (0.45)
SCHEMBL3004642 0.72 CSNK2A2 (0.36) SCN9ANPC1

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 3173/4885ALOX15 3350/4885SCN9A 3630/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 POLB 3173/4885ALOX15 3350/4885SCN9A 3630/4885

“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.