SCHEMBL5526147

SCHEMBL5526147

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1CN1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
KCNH2 Q12809 1/20 0.37
CNR2 P34972 1/20 0.35
F2RL3 Q96RI0 1/20 0.35

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
SCHEMBL5526721 0.83 CRHR1 (0.40) CRHR1KDM4EALDH1A1POLBMAPT
SCHEMBL4697476 0.78 CYP2A13 (0.46) CRHR1KDM4EALDH1A1MAPTMAPK1
SCHEMBL3839128 0.78 CRHR1 (0.51) CRHR1
SCHEMBL3839766 0.78 CRHR1 (0.46) CRHR1KCNH2
SCHEMBL3364586 0.77 CRHR1 (0.48) CRHR1
SCHEMBL3364753 0.77 CRHR1 (0.50) CRHR1
SCHEMBL3364574 0.77 CRHR1 (0.50) CRHR1
SCHEMBL3843319 0.76 CRHR1 (0.47) CRHR1KDM4EALDH1A1HSD17B10F2RL3
SCHEMBL13618061 0.76 CRHR1 (0.46) CRHR1KMT2AKDM4EALDH1A1POLB
SCHEMBL3362619 0.76 CRHR1 (0.46) CRHR1KDM4EALDH1A1HSD17B10F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007115966-A1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 US disclosed
US-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2007-10-11 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-20070238765-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA1, GABRA2, GABRA3 CRHR1 96/4885KMT2A 1314/4885KDM4E 1377/4885

“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.