SCHEMBL15112842

SCHEMBL15112842

[2H]C1([2H])c2c(C)cc(Cl)nc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SPR P35270 3/20 0.38
NR1H2 P55055 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
GRM5 P41594 2/20 0.37
POLB P06746 1/20 0.37
C5AR1 P21730 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
F12 P00748 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GRM1 Q13255 1/20 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
SCHEMBL14663062 0.88 ESR2 (0.48) ESR2MAPTMEN1KMT2ASPR
SCHEMBL31644535 0.79 C5AR1 (0.44) ESR2MEN1KMT2ANR1H2POLB
SCHEMBL31576175 0.77 GPR119 (0.47) ESR2MAPTMEN1KMT2ASPR
SCHEMBL14663184 0.73 BUB1 (0.39) ESR2MAPTMEN1KMT2ASPR
SCHEMBL30064995 0.73 MAPT (0.51) ESR2MAPTMEN1KMT2APOLB
SCHEMBL28830137 0.72 CHRM4 (0.39) HSP90AA1HSP90AB1
SCHEMBL867858 0.71 ESR2 (0.60) ESR2MAPTMEN1KMT2ANR1H2
SCHEMBL29508093 0.71 ESR2 (0.60) ESR2MAPTMEN1KMT2ANR1H2
SCHEMBL1623383 0.70 POLB (0.43) ESR2MAPTMEN1KMT2ASPR
SCHEMBL23198536 0.70 ADORA1 (0.49) ESR2MAPTSPRNR1H2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 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-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 ESR2 2591/4885MAPT 4178/4885MEN1 2378/4885

“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.