SCHEMBL10314867

SCHEMBL10314867

O=C1CCCc2nc(OCc3ccccn3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
GRM5 P41594 5/20 0.44
CYP1A2 P05177 1/20 0.41
HTR2C P28335 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4275594 0.83 GRM5 (0.61) GRM5CYP1A2KDM4EALDH1A1
SCHEMBL16151971 0.81 GRM5 (0.61) GRM5CYP1A2HTR2C
SCHEMBL28024469 0.79 GRM5 (0.43) GRM5SMN1; SMN2KDM4EALDH1A1
SCHEMBL10314849 0.79 MAOB (0.47) GRM5CYP1A2
SCHEMBL10314847 0.79 GRM5 (0.43) GRM5SMN1; SMN2KDM4EALDH1A1
SCHEMBL10314854 0.78 GRM5 (0.47) BRD4GRM5CYP1A2KDM4EALDH1A1
SCHEMBL29561492 0.77 GRM5 (0.41) GRM5CYP1A2SMN1; SMN2
SCHEMBL20077466 0.77 GRM5 (0.41) GRM5CYP1A2SMN1; SMN2
SCHEMBL4426496 0.76 GRM5 (0.44) GRM5CYP1A2SMN1; SMN2
SCHEMBL10314859 0.75 MAOB (0.56) GRM5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853237-B2 Naphthyridinone analogs as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2014-10-07 US disclosed
US-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-05 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-20120172391-A1 NAPHTHYRIDINONE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 BRD4 498/4885GRM5 1/4885CYP1A2 3633/4885

“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.