SCHEMBL21116508

SCHEMBL21116508

COc1cccc2c1C1(CC1)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
HTR2A P28223 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35

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
SCHEMBL1982256 0.82 PTPN1 (0.35) HTR1AHTR2ADRD2HTR1B
SCHEMBL18025155 0.81 TSHR (0.36) HTR1ACA1CA2CA7CA9
SCHEMBL15306030 0.81 KCNH2 (0.32)
SCHEMBL1764615 0.80 HTR1A (0.40) HTR1AHTR2ACA12CA1CA2
SCHEMBL20994800 0.78 BCHE (0.31) HTR1A
SCHEMBL21029078 0.77
SCHEMBL21029077 0.77
SCHEMBL19833328 0.76 ACHE (0.38) HTR1A
SCHEMBL21029508 0.76 MCHR1 (0.35)
SCHEMBL25053744 0.75 HTR1A (0.37) HTR1AHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490977-B1 CYCLOBUTANE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED POTASSIUM CHANNELS AUTIFONY THERAPEUTICS LTD (GB) 2020-11-25 EP disclosed
US-20190192516-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS GLAXOSMITHKLINE S.P.A. (IT) 2019-06-27 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 (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-20190192516-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS KCNN3, KCND3, KCNA3 HTR1A 677/4885HTR2A 1073/4885CA12 3602/4885

“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.