SCHEMBL13637314

SCHEMBL13637314

C/C=C\c1cccc(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.60
NOS2 P35228 4/20 0.52
NOS3 P29474 2/20 0.46
ADORA2A P29274 1/20 0.42
APP P05067 2/20 0.38
APLNR P35414 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NPC1 O15118 1/20 0.37
GRM5 P41594 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL12176959 1.00 GRM4 (0.60) GRM4NOS2NOS3ADORA2AAPP
SCHEMBL12500123 0.78 GRM4 (0.55) GRM4NOS2NOS3ADORA2AAPP
SCHEMBL10160889 0.78 GRM4 (0.55) GRM4NOS2NOS3ADORA2AAPP
SCHEMBL13820472 0.76 RAB9A (0.62) GRM4NOS2NOS3APLNRALDH1A1
SCHEMBL5864824 0.75 GRM4 (1.00) GRM4ASIC3ALDH1A1KDM4EHDAC6
SCHEMBL5864826 0.75 GRM4 (1.00) GRM4ASIC3ALDH1A1KDM4EHDAC6
SCHEMBL5865325 0.75 GRM4 (0.71) GRM4NOS2NOS3ADORA2AAPP
SCHEMBL13514045 0.75 GRM4 (0.51) GRM4NOS2NOS3ADORA2AAPP
SCHEMBL5865322 0.75 GRM4 (0.71) GRM4NOS2NOS3ADORA2AAPP
SCHEMBL21467612 0.74 APP (0.38) GRM4NOS2APPAPLNRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (3 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 GRM4 4565/4885NOS2 1681/4885NOS3 1721/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 GRM4 4497/4885NOS2 454/4885NOS3 284/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 GRM4 4142/4885NOS2 286/4885NOS3 444/4885

“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.