SCHEMBL13622778

SCHEMBL13622778

CCOC(=O)c1ncc(C)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 2/20 0.44
HSP90AA1 P07900 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL24131085 0.87 CYP1A2 (0.46) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL14907404 0.85 ALDH1A1 (0.43) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL16663609 0.84 KDM4E (0.44) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL8692342 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL18124754 0.83 ATM (0.47) ALDH1A1HSD17B10LMNAKDM4EMAPT
SCHEMBL25765775 0.83 KDM4E (0.46) ALDH1A1CYP1A2KMT2AHSD17B10CYP3A4
SCHEMBL14895377 0.81 RAB9A (0.42) ALDH1A1CYP1A2MEN1KMT2AHSD17B10
SCHEMBL6559030 0.81 TSHR (0.47) ALDH1A1MEN1KMT2AHSD17B10HSP90AA1
SCHEMBL29859779 0.81 TSHR (0.47) ALDH1A1MEN1KMT2AHSD17B10HSP90AA1
SCHEMBL16456041 0.80 CFTR (0.53) ALDH1A1MEN1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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 (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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 ALDH1A1 2412/4885CYP1A2 1539/4885MEN1 3864/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 ALDH1A1 1109/4885CYP1A2 535/4885MEN1 3640/4885

“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.