SCHEMBL2837803

SCHEMBL2837803

CN(Cc1cc(Nc2ccccc2)n(-c2ccccc2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.52
SLC6A4 P31645 4/20 0.52
GAA P10253 5/20 0.46
HPGD P15428 4/20 0.46
MAPK1 P28482 1/20 0.46
GFER P55789 1/20 0.45
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
MCTS1 Q9ULC4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPK14 Q16539 5/20 0.42
MAPK13 O15264 4/20 0.42
MAPK12 P53778 4/20 0.42
MAPK11 Q15759 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
KCNJ6 P48051 2/20 0.40
KCNJ5 P48544 2/20 0.40
KCNJ3 P48549 2/20 0.40

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
SCHEMBL2840465 0.85 GAA (0.53) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL2833994 0.80 HTR2C (0.52) HTR2CSLC6A4SLC16A3SLC16A1MCTS1
SCHEMBL3012799 0.77 HTR2C (0.49) HTR2CSLC6A4SLC16A3SLC16A1MCTS1
SCHEMBL2839406 0.72 GAA (0.60) GAAHPGDMAPK1GFERALDH1A1
SCHEMBL14924172 0.71 HTR2C (0.72) HTR2CSLC6A4SLC16A3SLC16A1MCTS1
Hydrochloric Acid SCHEMBL2839560 0.69 GAA (0.60) HTR2CSLC6A4GAAHPGDMAPK1
SCHEMBL18694530 0.69 ALDH1A1 (0.48) GAAHPGDALDH1A1LMNAMAPK14
SCHEMBL18925833 0.69 ALDH1A1 (0.51) GAAHPGDALDH1A1LMNAMAPK14
SCHEMBL10080833 0.68 HTR2C (0.75) HTR2CSLC6A4SLC16A3SLC16A1MCTS1
SCHEMBL10080825 0.68 HTR2C (0.67) HTR2CSLC6A4SLC16A3SLC16A1MCTS1

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
EP-3162798-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
EP-2196459-B1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-02 EP disclosed
US-8334301-B2 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-18 US disclosed
US-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-2196459-A1 5-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-16 EP 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-20100210696-A1 5-MEMBERED HETEROCYCLIC COMPOUND NPY4R, NPY5R, NPY1R HTR2C 1425/4885SLC6A4 1108/4885GAA 1513/4885

“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.