SCHEMBL2843052

SCHEMBL2843052

CN(Cc1c[nH]c(-c2ccccc2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.46
SLC6A4 P31645 5/20 0.46
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1C Q13936 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
PIN1 Q13526 3/20 0.38
GBA1 P04062 1/20 0.37
GLS O94925 1/20 0.37
PAX8 Q06710 1/20 0.36
HCRTR1 O43613 1/20 0.36
HTR2A P28223 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL1929153 0.76 HTR2C (0.42) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL1157313 0.74 HTR2C (0.44) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL2617215 0.73 ACE (0.51)
SCHEMBL7190668 0.72 RIPK1 (0.57) HTR2CSLC6A4GLSHDAC3HDAC1
SCHEMBL4676290 0.72 HTR2C (0.49) HTR2CSLC6A4
SCHEMBL1927829 0.72 CACNA1G (0.47) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL1928932 0.72 CACNA1G (0.47) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL8017533 0.72 HTR2C (0.47) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL25497271 0.72 HTR2C (0.44) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL946471 0.71 HTR2C (0.46) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C

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 1108/4885CACNA1G 3034/4885

“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.