SCHEMBL23200000

SCHEMBL23200000

Cc1ccc(CNC2CCC2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
CHRM2 P08172 2/20 0.46
VCP P55072 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM3 P20309 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
MCHR1 Q99705 1/20 0.37
PABPC1 P11940 1/20 0.37

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
SCHEMBL23200029 0.96 USP2 (0.51) USP2CHRM2VCPHRH3HPGD
SCHEMBL13280416 0.82 CHRM2 (0.46) USP2CHRM2VCPHPGDSMN1; SMN2
SCHEMBL13569152 0.77 CHRM2 (0.39) CHRM2VCPHPGDMEN1CHRM4
SCHEMBL20124188 0.76 SMN1; SMN2 (0.47) CHRM2HRH3HPGDSMN1; SMN2MAPT
SCHEMBL23200084 0.73 HPGD (0.58) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3364231 0.71 SMN1; SMN2 (0.46) CHRM2VCPSMN1; SMN2MEN1CHRM4
SCHEMBL11210617 0.70 USP2 (0.42) USP2HRH3MEN1KMT2AGLA
SCHEMBL10061630 0.70
SCHEMBL13996923 0.69 HRH1 (0.56) CHRM2SMN1; SMN2MEN1CHRM4CHRM5
SCHEMBL8809235 0.69 HRH1 (0.55) USP2HRH3MEN1CYP2C9KMT2A

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 3 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 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 USP2 4287/4885CHRM2 331/4885VCP 3384/4885

“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.