SCHEMBL3754547

SCHEMBL3754547

CCN(C(=O)C(c1ccccc1)c1ccccn1)c1nnc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 1/20 0.52
LMNA P02545 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CHRM2 P08172 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KCNA5 P22460 3/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PMP22 Q01453 2/20 0.35

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
SCHEMBL4408034 0.77 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ERAB9AMEN1
SCHEMBL14060543 0.68 ALDH1A1 (0.69) ALDH1A1CYP1A2LMNACYP2C19KDM4E
SCHEMBL11257114 0.68 ALDH1A1 (0.68) ALDH1A1CYP1A2LMNACYP2C19KDM4E
SCHEMBL1177971 0.67 ALDH1A1 (0.68) ALDH1A1CYP1A2LMNACYP2C19KDM4E
SCHEMBL11229150 0.66 ALDH1A1 (0.54) ALDH1A1CYP1A2LMNACYP2C19KDM4E
SCHEMBL7759530 0.65 ALDH1A1 (0.64) ALDH1A1CYP1A2LMNACYP2C19KDM4E
SCHEMBL639563 0.65 ALDH1A1 (0.64) ALDH1A1CYP1A2LMNACYP2C19KDM4E
SCHEMBL746435 0.65 MLYCD (0.39) ALDH1A1TSHRGAA
SCHEMBL1594444 0.64 ALDH1A1 (0.55) ALDH1A1CYP1A2KDM4ERAB9AMEN1
SCHEMBL638444 0.64 ALDH1A1 (0.63) ALDH1A1CYP1A2LMNACYP2C19KDM4E

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
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
US-7829724-B2 Triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2010-11-09 US disclosed
US-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS ZENTARIS GMBH (DE) 2007-09-06 US disclosed
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors ZENTARIS GMBH (DE) 2007-02-15 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-20070208061-A2 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 ALDH1A1 3459/4885CYP1A2 1970/4885LMNA 4833/4885
US-20100331343-A1 NOVEL TRIAZOLE DERIVATIVES AS GHRELIN ANALOGUE LIGANDS OF GROWTH HORMONE SECRETAGOGUE RECEPTORS GIPR, GHSR, GPR119 ALDH1A1 3459/4885CYP1A2 1970/4885LMNA 4833/4885
US-20070037857-A1 Novel triazole derivatives as ghrelin analogue ligands of growth hormone secretagogue receptors GIPR, GHSR, GPR119 ALDH1A1 3459/4885CYP1A2 1970/4885LMNA 4833/4885

“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.