SCHEMBL14294339

SCHEMBL14294339

CCCNc1ccc(C)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
PIM1 P11309 1/20 0.37
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
FYN P06241 3/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL23768365 0.85 SOAT1 (0.49) HCAR3TLR8SOAT1
SCHEMBL12895618 0.83 HCAR3 (0.39) HCAR3SMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL1752801 0.82 SYK (0.41) SMN1; SMN2HPGDALDH1A1KDM4EHDAC1
SCHEMBL20037454 0.82 IL1B (0.45) HPGDALDH1A1LMNARAB9AKDM4E
SCHEMBL15382053 0.79 HCAR3 (0.46) HCAR3SMN1; SMN2HPGDALDH1A1TP53
SCHEMBL8046837 0.79 HRH3 (0.45) SMN1; SMN2HPGDALDH1A1LMNATP53
SCHEMBL10356814 0.79 CYP2C19 (0.50)
SCHEMBL4889623 0.78 HCAR3 (0.41) HCAR3SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL27401621 0.78 MAPT (0.50) HCAR3SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL16136909 0.76 PIM1 (0.50) SMN1; SMN2HPGDALDH1A1PIM1NPC1

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-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US disclosed
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 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-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE HCAR3 528/4885SMN1; SMN2 848/4885HPGD 1160/4885

“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.