SCHEMBL23200049

SCHEMBL23200049

Cn1ncc2ccc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 6/20 0.47
DCUN1D1 Q96GG9 6/20 0.47
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PTBP1 P26599 1/20 0.43
TP53 P04637 4/20 0.42
ITK Q08881 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.42
CCR1 P32246 2/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL23200153 0.88 CACNA1H (0.49) UBE2MDCUN1D1TP53ITKSMN1; SMN2
SCHEMBL10587267 0.78 SLC6A9 (0.61) UBE2MDCUN1D1SLC6A9SLC6A5LMNA
SCHEMBL9257544 0.77 SLC6A9 (0.59) UBE2MDCUN1D1SLC6A9SLC6A5LMNA
SCHEMBL23200080 0.76 SMN1; SMN2 (0.57) UBE2MDCUN1D1ALDH1A1TP53SMN1; SMN2
SCHEMBL23699899 0.76 MEN1 (0.50) UBE2MDCUN1D1SLC6A9SLC6A5LMNA
SCHEMBL31540945 0.75 UBE2M (0.48) UBE2MDCUN1D1SLC6A9SLC6A5LMNA
SCHEMBL23200170 0.74 SLC6A9 (0.54) UBE2MDCUN1D1SLC6A9SLC6A5LMNA
SCHEMBL23699916 0.74 SLC6A9 (0.47) UBE2MDCUN1D1SLC6A9SLC6A5LMNA
SCHEMBL23699910 0.74 NPC1 (0.54) UBE2MDCUN1D1SLC6A9SLC6A5LMNA
Pencycuron SCHEMBL8817027 0.74 AGER (0.62) UBE2MDCUN1D1SLC6A9SLC6A5LMNA

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 UBE2M 3929/4885DCUN1D1 1039/4885SLC6A9 904/4885

“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.