SCHEMBL20599031

SCHEMBL20599031

CCC1NC(=O)N(c2ccc(Oc3ccc(C)c(OC)c3)nc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
HRH3 Q9Y5N1 5/20 0.35
HRH1 P35367 1/20 0.34
LARS1 Q9P2J5 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
OXTR P30559 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL1980580 1.00 DRD1 (0.38) DRD1ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL30939542 1.00 DRD1 (0.38) DRD1ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL29381475 1.00 DRD1 (0.38) DRD1ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL1982377 1.00 DRD1 (0.38) DRD1ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL15535915 0.92 DRD1 (0.37) DRD1ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL20567334 0.92 NPSR1 (0.39) ALDH1A1NPSR1HRH3HRH1POLB
SCHEMBL13832581 0.90 ALDH1A1 (0.36) DRD1ALDH1A1MAPTNPSR1HSD17B10
SCHEMBL30939529 0.88 POLB (0.34) DRD1NPSR1MCHR1POLB
SCHEMBL1978383 0.88 POLB (0.34) DRD1NPSR1MCHR1POLB
SCHEMBL1979013 0.88 AR (0.40) ALDH1A1MAPTNPSR1

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-20220071998-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2022-03-10 US disclosed
US-11147813-B2 Modulators of KV3 channels to treat pain AUTIFONY THERAPEUTICS LIMITED (GB) 2021-10-19 US disclosed
US-20190000848-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2019-01-03 US 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 (3 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-20190000848-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN KCNN3, KCNA3, KCND3 DRD1 2203/4885ALDH1A1 2667/4885MAPT 2772/4885
US-11147813-B2 Modulators of KV3 channels to treat pain KCNN3, KCNA3, KCND3 DRD1 2203/4885ALDH1A1 2667/4885MAPT 2772/4885
US-20220071998-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN KCNN3, KCNA3, KCND3 DRD1 2354/4885ALDH1A1 2716/4885MAPT 2780/4885

“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.