SCHEMBL4164659

SCHEMBL4164659

Cc1cccc(C#CC2=CC(=NO)CCC2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.72
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRM1 Q13255 1/20 0.45

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
SCHEMBL4164657 1.00 GRM5 (0.72) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30510965 0.84 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4147283 0.84 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15576578 0.84 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29781390 0.81 GRM5 (0.84) GRM5
SCHEMBL13944075 0.81 GRM5 (0.76) GRM5
SCHEMBL7422531 0.79 GRM5 (0.56) GRM5CYP1A2
SCHEMBL7422525 0.79 GRM5 (0.56) GRM5CYP1A2
SCHEMBL4160148 0.78 GRM5 (0.65) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6431920 0.75 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142318-A1 PYRIDYLACETYLENES FOR USE AS RADIOTRACERS AND IMAGING AGENTS NOVARTIS AG (CH) 2014-05-22 US disclosed
US-8674110-B2 Pyridylacetylenes for use as radiotracers and imaging agents NOVARTIS AG (CH) 2014-03-18 US disclosed
EP-1670762-B1 PYRIDYLACETYLENES FOR USE AS RADIOTRACERS AND IMAGING AGENTS NOVARTIS AG (CH) 2012-12-05 EP disclosed
US-20090010838-A1 Pyridylacetylenes for Use as Radiotracers and Imaging Agents NOVARTIS AG (CH) 2009-01-08 US disclosed
EP-1670762-A1 PYRIDYLACETYLENES FOR USE AS RADIOTRACERS AND IMAGING AGENTS Novartis AG (CH) 2006-06-21 EP disclosed
WO-2005030723-A1 PYRIDYLACETYLENES FOR USE AS RADIOTRACERS AND IMAGING AGENTS NOVARTIS AG (CH) 2005-04-07 WO 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 (2 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-20140142318-A1 PYRIDYLACETYLENES FOR USE AS RADIOTRACERS AND IMAGING AGENTS B3GNT2, MPI, PLPBP GRM5 2382/4885NPC1 561/4885RAB9A 1749/4885
US-20090010838-A1 Pyridylacetylenes for Use as Radiotracers and Imaging Agents NAT1, PLPBP, AADAC GRM5 2380/4885NPC1 568/4885RAB9A 1085/4885

“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.