SCHEMBL3842403

SCHEMBL3842403

CCOC(=O)Cc1ncn(Cc2c3cccc(-c4ccc(Cl)cc4Cl)c3nn2C)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.35
CNR1 P21554 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RIPK1 Q13546 2/20 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
SCHEMBL13617592 0.89 CRHR1 (0.38) CRHR1CNR1F2RL3
SCHEMBL3839859 0.85 HSD17B10 (0.43) CRHR1SMN1; SMN2TSHRCNR1KDM4E
SCHEMBL3838866 0.82 CRHR1 (0.37) CRHR1SMN1; SMN2TSHRCNR1KDM4E
SCHEMBL3840256 0.81 CRHR1 (0.43) CRHR1CNR1F2RL3KDM4EALDH1A1
SCHEMBL3843300 0.81 SMN1; SMN2 (0.37) CRHR1SMN1; SMN2TSHRCNR1ALDH1A1
SCHEMBL3841771 0.81 CRHR1 (0.41) CRHR1F2RL3RIPK1
SCHEMBL14378006 0.77 CRHR1 (0.45) CRHR1MAPT
SCHEMBL3844759 0.77 CRHR1 (0.40) CRHR1SMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL3841756 0.76 CRHR1 (0.43) CRHR1
SCHEMBL8295013 0.75 CRHR1 (0.44) CRHR1SMN1; SMN2CNR1F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007753-B1 HETEROCYCLIC GABA ALPHA SUBTYPE SELECTIVE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
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 96/4885SMN1; SMN2 2930/4885TSHR 321/4885

“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.