SCHEMBL3029602

SCHEMBL3029602

CN(Cc1cc(Sc2ccc(Cl)nc2)n(-c2ccccc2Cl)n1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.49
SLC6A4 P31645 7/20 0.49
SLC16A3 O15427 11/20 0.39
SLC16A1 P53985 10/20 0.39
HTR2A P28223 1/20 0.35
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL3696768 0.92 HTR2C (0.45) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3697267 0.92 HTR2C (0.48) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3703719 0.89 HTR2C (0.43) HTR2CSLC6A4HTR2A
SCHEMBL3700534 0.88 HTR2C (0.45) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3703228 0.88 HTR2C (0.45) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3692811 0.88 HTR2C (0.45) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3701898 0.88 HTR2C (0.49) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL3695135 0.88 HTR2C (0.44) HTR2CSLC6A4SLC16A3SLC16A1HTR2A
SCHEMBL2838662 0.87 SLC16A3 (0.38) HTR2CSLC6A4SLC16A3SLC16A1
SCHEMBL3701837 0.86 HTR2C (0.43) HTR2CSLC6A4HTR2A

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-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-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO 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 1108/4885SLC16A3 1496/4885

“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.