SCHEMBL4131329

SCHEMBL4131329

CN(Cc1cc(N2CCCCC2=O)c(S(=O)(=O)c2ccccc2)s1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.35
SLC6A4 P31645 4/20 0.35
NMT1 P30419 1/20 0.33
METAP2 P50579 1/20 0.33
GLS O94925 1/20 0.33
F10 P00742 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.32
CCR5 P51681 1/20 0.32
PIK3CA P42336 1/20 0.32
MGAT2 Q10469 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL3704722 0.93 HTR2C (0.31) HTR2CSLC6A4NMT1
SCHEMBL4137780 0.88 NMT1 (0.36) NMT1HPGDNPSR1HTTMGAT2
SCHEMBL3704724 0.80 GAA (0.30) NMT1
SCHEMBL3654644 0.78 HTR2C (0.38) HTR2CSLC6A4GLSNPSR1
Hydrochloric Acid SCHEMBL4132114 0.77 CACNA2D1 (0.36) NMT1HPGDHTTMGAT2
SCHEMBL3704723 0.77 NMT1 (0.30) NMT1
Carbamic Acid SCHEMBL3651234 0.76 HTR2C (0.37) HTR2CSLC6A4GLSNPSR1
SCHEMBL4130961 0.73 HTR2C (0.37) HTR2CSLC6A4GLSCCR5
SCHEMBL8164212 0.73 NR1H2 (0.37) HTR2CSLC6A4F10HPGDHTT
SCHEMBL4118500 0.72 HTR2C (0.36) HTR2CSLC6A4GLSCCR5PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 HTR2C 2565/4885SLC6A4 3372/4885NMT1 895/4885

“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.