SCHEMBL23200093

SCHEMBL23200093

Cc1ncc(CN(C(=O)Nc2ccc(F)cc2)C2CCCC2)o1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TP53 P04637 6/20 0.45
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL23200103 0.89 SLC6A9 (0.48) ALDH1A1TP53SLC6A9SLC6A5UBE2M
SCHEMBL23200067 0.89 ALDH1A1 (0.57) ALDH1A1TP53UBE2MDCUN1D1SMN1; SMN2
SCHEMBL23200123 0.87 GCGR (0.43) ALDH1A1TP53UBE2MDCUN1D1SMN1; SMN2
SCHEMBL23200054 0.84 ALDH1A1 (0.41) ALDH1A1TP53SLC6A9SLC6A5UBE2M
SCHEMBL23699895 0.82 LMNA (0.56) ALDH1A1TP53SLC6A9SLC6A5UBE2M
SCHEMBL23699927 0.80 ALDH1A1 (0.48) ALDH1A1TP53SLC6A9SLC6A5UBE2M
SCHEMBL23200181 0.78 ALDH1A1 (0.51) ALDH1A1TP53SLC6A9SLC6A5UBE2M
SCHEMBL23200055 0.77 ALDH1A1 (0.45) ALDH1A1TP53SLC6A9SLC6A5UBE2M
SCHEMBL23200095 0.77 LMNA (0.48) ALDH1A1TP53UBE2MDCUN1D1SMN1; SMN2
SCHEMBL23199940 0.75 TP53 (0.52) ALDH1A1TP53SLC6A9SLC6A5UBE2M

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 ALDH1A1 606/4885TP53 557/4885SLC6A9 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.