SCHEMBL5044673

SCHEMBL5044673

Cc1cc(C)c(N2CCCc3c2nn(C)c3F)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
CRHR1 P34998 5/20 0.34
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14031202 0.85 PKM (0.36) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL5039794 0.84 CRHR1 (0.31) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL5039155 0.84 MAPT (0.34) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL5039332 0.82 PKM (0.33) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL14049588 0.82 CRHR1 (0.32) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL5044714 0.82 RXRA (0.33) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL14049594 0.82 MAPT (0.33) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL14049623 0.82 CRHR1 (0.32) HRH3CRHR1MAPTGAAALDH1A1
SCHEMBL5046749 0.82 CRHR1 (0.31) CRHR1
SCHEMBL5039172 0.81 GAA (0.44) HRH3CRHR1MAPTGAAALDH1A1

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 HRH3 286/4885CRHR1 71/4885MAPT 2548/4885

“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.