SCHEMBL23200054

SCHEMBL23200054

Cc1ncc(CN(C(=O)Nc2ccc(C#CCO)cc2)C2CCCC2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPT P10636 5/20 0.38
TP53 P04637 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
UBE2M P61081 4/20 0.36
DCUN1D1 Q96GG9 4/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
MAPK1 P28482 1/20 0.34
ROCK2 O75116 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL23200123 0.87 GCGR (0.43) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23699901 0.85 LMNA (0.46) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23200189 0.84 LMNA (0.46) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23200093 0.84 ALDH1A1 (0.45) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23200103 0.84 SLC6A9 (0.48) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23200067 0.84 ALDH1A1 (0.57) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23699887 0.77 LMNA (0.47) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23699972 0.76 LMNA (0.47) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23200040 0.76 GAA (0.46) ALDH1A1MAPTTP53SMN1; SMN2UBE2M
SCHEMBL23718921 0.75 LMNA (0.47) ALDH1A1MAPTTP53SMN1; SMN2UBE2M

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 606/4885MAPT 128/4885TP53 557/4885

“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.