SCHEMBL3778769

SCHEMBL3778769

COc1cccc(C2N3CN4CN(C3)CN2C4)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
DRD2 P14416 2/20 0.44
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA1A P35348 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
GID4 Q8IVV7 1/20 0.41

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
SCHEMBL3787596 0.79 ALDH1A1 (0.54) HTR2CDRD2KDM1AKDM4EGAA
SCHEMBL3785304 0.75 MEN1 (0.47) KDM4EMEN1GAAKMT2A
SCHEMBL23676966 0.72 HTR2C (0.61) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL30997824 0.71 HTR2C (0.77) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL1515134 0.71 HTR2C (0.77) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL28829972 0.70 KDM1A (0.60) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL8329714 0.69 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL22667383 0.69 HTR2C (0.58) HTR2CHTR2AHTR2BDRD2ADRA1A
SCHEMBL7784267 0.68 HTR2C (0.54) HTR2CHTR2AHTR2BDRD2KDM1A
Methyl Alcohol SCHEMBL8097139 0.68 HTR2C (0.72) HTR2CHTR2AHTR2BDRD2KDM1A

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-8710089-B2 Triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2014-04-29 US disclosed
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2010-12-30 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-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 HTR2C 718/4885HTR2A 881/4885HTR2B 603/4885

“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.