SCHEMBL23200037

SCHEMBL23200037

COc1ccc(CN(C(=O)NCCc2ccccc2)C2CCCC2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
EPHX1 P07099 1/20 0.44
KMT2A Q03164 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
THRB P10828 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.44

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
SCHEMBL23200023 0.85 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNATHRB
SCHEMBL23200008 0.77 TP53 (0.55) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL23200045 0.75 TP53 (0.53) ALDH1A1MAPTHPGDLMNA
SCHEMBL12049714 0.75
SCHEMBL23200002 0.75 SLC2A1 (0.42) ALDH1A1TAAR1SMN1; SMN2HPGDNPC1
SCHEMBL23200188 0.75 ALDH1A1 (0.46) HTTALDH1A1TAAR1SMN1; SMN2HPGD
SCHEMBL23200171 0.75 UBE2M (0.49) HTTALDH1A1MAPTTAAR1SMN1; SMN2
SCHEMBL23699879 0.75 ALDH1A1 (0.68) HTTALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL7417537 0.74 KMT2A (0.59) HTTALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL342508 0.73 OPRM1 (0.56) SLC2A1

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 HTT 290/4885ALDH1A1 606/4885MAPT 128/4885

“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.