SCHEMBL20028880

SCHEMBL20028880

c1ccc(Oc2ccccc2-c2coc(C3CCCNC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.42
SLC6A4 P31645 10/20 0.42
SLC6A3 Q01959 7/20 0.42
HTR1A P08908 5/20 0.42
KCNH2 Q12809 4/20 0.38
CYP2D6 P10635 3/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
BTK Q06187 1/20 0.37
IKBKB O14920 1/20 0.37
PRMT5 O14744 1/20 0.37
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36

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
Hydrochloric Acid SCHEMBL21145354 0.99 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR1AKCNH2
SCHEMBL3583291 0.80 ACP1 (0.41) CHRM1HRH1IKBKBCHEK1CCNA2
SCHEMBL3583286 0.80 ACP1 (0.41) CHRM1HRH1IKBKBCHEK1CCNA2
Hydrochloric Acid SCHEMBL4599388 0.79 ACP1 (0.40) CHRM1HRH1IKBKBCHEK1CCNA2
SCHEMBL29680023 0.76 USP30 (0.56) BTK
SCHEMBL20028875 0.76 USP30 (0.56) BTK
SCHEMBL20028885 0.74 CHEK1 (0.43) KCNH2BTKIKBKBCHEK1CCNA2
SCHEMBL3582249 0.74 MPO (0.47) KCNH2CHRM1HRH1CHEK1CCNA2
SCHEMBL3582248 0.74 MPO (0.47) KCNH2CHRM1HRH1CHEK1CCNA2
SCHEMBL28362124 0.73 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR1AKCNH2

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
CN-109790148-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-06-07 CN disclosed
EP-3519397-B1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-05-19 EP disclosed
US-10927110-B2 Cyano-subtituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-02-23 US disclosed
US-20190218215-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2019-07-18 US disclosed
WO-2018060691-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO 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 (2 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-20190218215-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 SLC6A2 4704/4885SLC6A4 4680/4885SLC6A3 4551/4885
US-10927110-B2 Cyano-subtituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 SLC6A2 4704/4885SLC6A4 4680/4885SLC6A3 4551/4885

“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.