SCHEMBL5039172

SCHEMBL5039172

CNc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.32
CRHR1 P34998 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5043421 0.85 CRHR1 (0.31) GAAPOLBCYP1A2CRHR1HRH3
SCHEMBL14031202 0.84 PKM (0.36) GAAPOLBPKMCRHR1HRH3
SCHEMBL5045685 0.83 CRHR1 (0.39) CRHR1
SCHEMBL6645857 0.82 ACHE (0.36) POLBCRHR1HTTSMN1; SMN2NPSR1
SCHEMBL5048460 0.82 CRHR1 (0.39) GAAPOLBMEN1KMT2ACRHR1
SCHEMBL5039155 0.82 MAPT (0.34) GAAPOLBPKMCRHR1HRH3
SCHEMBL5043583 0.81 TSHR (0.38) GAAPOLBCYP1A2MEN1KMT2A
SCHEMBL5044714 0.81 RXRA (0.33) GAAPOLBPKMCRHR1HRH3
SCHEMBL14049623 0.81 CRHR1 (0.32) GAAPOLBPKMCRHR1HRH3
SCHEMBL14049594 0.81 MAPT (0.33) GAAPOLBPKMCRHR1HRH3

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
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 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-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 GAA 2466/4885POLB 4388/4885CYP1A2 64/4885

“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.