SCHEMBL10314847

SCHEMBL10314847

O=C1CCCc2nc(OCc3ccccc3Cl)ccc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDCD1 Q15116 3/20 0.41
CD274 Q9NZQ7 3/20 0.41
GABRA1 P14867 2/20 0.40
GABRA2 P47869 2/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL20077466 0.86 GRM5 (0.41) GRM5SMN1; SMN2
SCHEMBL29561492 0.86 GRM5 (0.41) GRM5SMN1; SMN2
SCHEMBL10314849 0.85 MAOB (0.47) GRM5PDCD1CD274
SCHEMBL4275594 0.82 GRM5 (0.61) GRM5KDM4EALDH1A1L3MBTL1TSHR
SCHEMBL16151972 0.81 GRM5 (0.59) GRM5HPGDMAPK1KDM4EALDH1A1
SCHEMBL10314859 0.80 MAOB (0.56) GRM5
SCHEMBL10314867 0.79 BRD4 (0.45) GRM5KDM4EALDH1A1SMN1; SMN2
SCHEMBL10314864 0.78 MAOB (0.61) GRM5
SCHEMBL4426496 0.76 GRM5 (0.44) GRM5MAPTRAB9ASMN1; SMN2TSHR
SCHEMBL10314854 0.74 GRM5 (0.47) GRM5HPGDMAPK1KDM4EALDH1A1

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 GRM5 1/4885HPGD 1729/4885MAPK1 1731/4885

“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.