SCHEMBL4125525

SCHEMBL4125525

CN(Cc1cc(Sc2ccc(Cl)nc2)n(-c2ccc(F)cc2F)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.35
CNR2 P34972 9/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
P2RX7 Q99572 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL4131684 0.93 KCNQ3 (0.34) CNR2KCNQ3KCNQ2HTR2AHTR2C
SCHEMBL4125749 0.92 HCRTR1 (0.31) HTR2CSLC6A4
SCHEMBL4136934 0.91 KCNQ3 (0.32) KCNQ3KCNQ2HTR2CSLC6A4
SCHEMBL4130715 0.90 KCNQ3 (0.32) KCNQ3KCNQ2P2RX7HTR2CSLC6A4
SCHEMBL4123906 0.90 SPR (0.35) P2RX7HTR2CSLC6A4ALDH1A1
SCHEMBL3701837 0.88 HTR2C (0.43) CNR1CNR2HTR2AHTR2CSLC6A4
SCHEMBL3706263 0.87 CNR2 (0.36) CNR1CNR2KCNQ3KCNQ2P2RX7
SCHEMBL4130351 0.86 HTR1A (0.32) L3MBTL1HTR2CSLC6A4ALDH1A1
SCHEMBL4126939 0.86 HTR2C (0.32) KCNQ3KCNQ2HTR2CSLC6A4ALDH1A1
SCHEMBL4127365 0.86 SCN9A (0.35) P2RX7HTR2CSLC6A4ALDH1A1

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 CNR1 938/4885CNR2 820/4885KCNQ3 4287/4885

“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.