SCHEMBL5044714

SCHEMBL5044714

Cc1cc(C)c(N2CCCc3c2nn(C)c3Cl)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CRHR1 P34998 4/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.30
ACHE P22303 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 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) CRHR1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL5039155 0.84 MAPT (0.34) CRHR1ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL14049623 0.82 CRHR1 (0.32) CRHR1ALDH1A1SMN1; SMN2KDM4EHRH3
SCHEMBL5044673 0.82 HRH3 (0.34) CRHR1ALDH1A1SMN1; SMN2KDM4EHRH3
SCHEMBL14049594 0.82 MAPT (0.33) RXRARXRBRXRGCRHR1ALDH1A1
SCHEMBL14049588 0.82 CRHR1 (0.32) CRHR1ALDH1A1SMN1; SMN2KDM4EHRH3
SCHEMBL5039332 0.82 PKM (0.33) CRHR1ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL14031211 0.82 PKM (0.33) RXRARXRBRXRGCRHR1PKM
SCHEMBL5039794 0.81 CRHR1 (0.31) CRHR1ALDH1A1SMN1; SMN2HRH3MAPT
SCHEMBL5039172 0.81 GAA (0.44) CRHR1ALDH1A1SMN1; SMN2HRH3MAPT

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 RXRA 659/4885RXRB 595/4885RXRG 601/4885

“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.