SCHEMBL23200035

SCHEMBL23200035

Cc1ccc(CN(C(=O)Nc2ccccc2)C(C)C)o1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
AR P10275 6/20 0.52
F2R P25116 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.43
MTOR P42345 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL23200223 0.80 MEN1 (0.51) TSHRNPSR1ALDH1A1HPGDMAPT
SCHEMBL16724727 0.79 MEN1 (0.66) TSHRF2RNPSR1ALDH1A1MAPT
SCHEMBL23200081 0.78 POLB (0.49) TSHRNPSR1ALDH1A1HPGDMAPT
SCHEMBL23200022 0.77 DCUN1D1 (0.61) ALDH1A1HPGDUBE2MDCUN1D1
SCHEMBL23200025 0.76 UBE2M (0.60) NPSR1ALDH1A1HPGDMAPTPKM
SCHEMBL23200048 0.75 ALDH1A1 (0.61) NPSR1ALDH1A1HPGDMAPTPKM
SCHEMBL9831966 0.75 MAPT (0.48) TSHRALDH1A1HPGDMAPTPKM
SCHEMBL11693120 0.73 ALDH1A1 (0.56) F2RNPSR1ALDH1A1MAPTMEN1
SCHEMBL11692002 0.73 MEN1 (0.54) TSHRF2RNPSR1ALDH1A1MAPT
SCHEMBL11695774 0.73 EGFR (0.54) NPSR1ALDH1A1MEN1KMT2AMTOR

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 TSHR 343/4885AR 4337/4885F2R 2397/4885

“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.