SCHEMBL23200010

SCHEMBL23200010

Cc1ccc(CN(C(=O)Nc2ccc(C#N)cc2)C2CCCC2(F)F)o1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.40
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GCGR P47871 1/20 0.36
EPHX1 P07099 1/20 0.36
CCR1 P32246 1/20 0.35
PAX8 Q06710 1/20 0.35
GAA P10253 1/20 0.34
SCN9A Q15858 1/20 0.34
MCHR1 Q99705 3/20 0.34
TRPA1 O75762 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
SCHEMBL23200117 0.88 GAA (0.43) LMNAUBE2MDCUN1D1MAPTCCR1
SCHEMBL23200058 0.84 POLB (0.56) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23200066 0.83 POLB (0.55) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23699934 0.83 POLB (0.48) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23199985 0.83 POLB (0.48) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23699924 0.83 POLB (0.52) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23718870 0.80 POLB (0.53) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23718863 0.80 POLB (0.53) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23199930 0.80 POLB (0.53) POLBLMNAUBE2MDCUN1D1MAPT
SCHEMBL23200142 0.79 POLB (0.50) POLBLMNAUBE2MDCUN1D1MAPT

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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US claimed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 POLB 2610/4885LMNA 4541/4885UBE2M 3929/4885

“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.