SCHEMBL10312992

SCHEMBL10312992

O=C(c1ccccc1)N1CCc2ncc(Br)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
PTGS1 P23219 1/20 0.57
GRM5 P41594 2/20 0.53
PDGFRB P09619 2/20 0.48
KDR P35968 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10277594 0.88 HSP90AB1 (0.54) HPGDSMN1; SMN2HTTPTGS1GRM5
SCHEMBL13226307 0.86 PTGS1 (0.58) HPGDSMN1; SMN2HTTPTGS1GRM5
SCHEMBL13226306 0.85 PTGS1 (0.60) HPGDSMN1; SMN2HTTPTGS1PDGFRB
SCHEMBL723952 0.84 ABHD6 (0.49) HPGDSMN1; SMN2HTTPTGS1GRM5
SCHEMBL13253558 0.82 PTGS1 (0.55) HPGDSMN1; SMN2HTTPTGS1PDGFRB
SCHEMBL10312997 0.82 PTGS1 (0.55) HPGDSMN1; SMN2HTTPTGS1GRM5
SCHEMBL10312990 0.81 PTGS1 (0.54) HPGDSMN1; SMN2HTTPTGS1GRM5
SCHEMBL10312991 0.81 PTGS1 (0.54) HPGDSMN1; SMN2HTTPTGS1GRM5
SCHEMBL13226305 0.81 HPGD (0.58) HPGDSMN1; SMN2PTGS1PDGFRBKDR
SCHEMBL10313047 0.79 PTGS1 (0.51) HPGDPTGS1GRM5PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012097182-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS VANDERBILT UNIVERSITY (US) 2012-07-19 WO disclosed
US-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-12 US disclosed
US-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-07-12 US disclosed
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
EP-1501507-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-05-28 EP disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 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-20120178776-A1 DIHYDRONAPHTHYRIDINYL(ORGANO)METHANONE ANALOGS AS POSITIVE ALLOSTERIC MGLUR5 MODULATORS GRM5, GRIK5, GRM3 HPGD 1946/4885SMN1; SMN2 2012/4885HTT 322/4885

“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.