SCHEMBL4064145

SCHEMBL4064145

O=c1c2ncccc2ccn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.47
DHPS P49366 1/20 0.46
P2RX7 Q99572 1/20 0.45
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
PDE4A P27815 1/20 0.44
EGLN1 Q9GZT9 2/20 0.44
KAT2B Q92831 1/20 0.43
EIF4EBP1 Q13541 1/20 0.43

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
SCHEMBL27252002 0.80 HTR2A (0.48) HTR1ADRD2HTR2APDE4AEIF4EBP1
SCHEMBL324010 0.78 KMT2A (0.49) P2RX7PDE4A
SCHEMBL38652062 0.78 KMT2A (0.49) P2RX7PDE4A
SCHEMBL1757848 0.76 ACHE (0.59) MAPK14DHPSEGLN1
SCHEMBL29809414 0.76 ACHE (0.59) MAPK14DHPSEGLN1
SCHEMBL14771218 0.74 EGLN1 (0.49) MAPK14DHPSEGLN1
Phenanthroline SCHEMBL28483605 0.73 CYP3A4 (0.53) P2RX7PDE4AEGLN1
SCHEMBL3963990 0.72 KDM4E (0.48) PDE4A
SCHEMBL4064849 0.72 PDE4A (0.47) PDE4AKAT2B
SCHEMBL15815770 0.72 PDE4A (0.47) DHPSPDE4AKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009038812-A1 CONDENSED PIPERIDINE DERIVATIVES USEFUL AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2009-03-26 WO disclosed
WO-2009038812-A1 CONDENSED PIPERIDINE DERIVATIVES USEFUL AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2009-03-26 WO disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 US disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 US disclosed
US-20090082358-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2009-03-26 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-20090082358-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 MAPK14 972/4885DHPS 3132/4885P2RX7 242/4885

“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.