SCHEMBL5039283

SCHEMBL5039283

C=C(C)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.32
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5039430 0.87 CRHR1 (0.36) CRHR1POLBMAPTTDP1L3MBTL1
SCHEMBL5047003 0.84 POLB (0.48) CRHR1POLBMAPTTDP1L3MBTL1
SCHEMBL14031276 0.82 CYP2D6 (0.34) CRHR1MAPT
SCHEMBL5039792 0.82 CYP2D6 (0.34) CRHR1MAPT
SCHEMBL14049592 0.82 CYP2D6 (0.34) CRHR1MAPT
SCHEMBL14049594 0.81 MAPT (0.33) CRHR1POLBMAPTTDP1
SCHEMBL14031202 0.80 PKM (0.36) CRHR1POLBMAPTTDP1
SCHEMBL5043187 0.79 CRHR1 (0.37) CRHR1
SCHEMBL5039155 0.79 MAPT (0.34) CRHR1POLBMAPTTDP1
SCHEMBL14049588 0.78 CRHR1 (0.32) CRHR1POLBMAPTTDP1

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 CRHR1 71/4885POLB 4388/4885MAPT 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.