SCHEMBL2833994

SCHEMBL2833994

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.52
SLC6A4 P31645 7/20 0.52
HTR2A P28223 1/20 0.41
SLC16A3 O15427 6/20 0.37
SLC16A1 P53985 6/20 0.37
MCTS1 Q9ULC4 1/20 0.36
GLS O94925 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL3012799 0.89 HTR2C (0.49) HTR2CSLC6A4HTR2ASLC16A3SLC16A1
SCHEMBL2838656 0.85 ALDH1A1 (0.39) SLC16A3SLC16A1ALDH1A1GRNSORT1
SCHEMBL2837803 0.80 HTR2C (0.52) HTR2CSLC6A4SLC16A3SLC16A1MCTS1
SCHEMBL2838918 0.73 NPSR1 (0.37) SLC16A3SLC16A1ALDH1A1CNR1CNR2
SCHEMBL10080842 0.72 HTR2C (0.67) HTR2CSLC6A4HTR2ASLC16A3SLC16A1
SCHEMBL14924172 0.72 HTR2C (0.72) HTR2CSLC6A4HTR2ASLC16A3SLC16A1
Hydrochloric Acid SCHEMBL2841112 0.70 MEN1 (0.43) HTR2CSLC6A4HTR2ACNR1CNR2
SCHEMBL10080825 0.69 HTR2C (0.67) HTR2CSLC6A4HTR2ASLC16A3SLC16A1
SCHEMBL24035183 0.69 ALDH1A1 (0.40) HTR2CSLC6A4ALDH1A1GRNSORT1
SCHEMBL7190668 0.68 RIPK1 (0.57) HTR2CSLC6A4GLS

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 1108/4885HTR2A 3226/4885

“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.