SCHEMBL17610705

SCHEMBL17610705

O=C(O)Cc1ccc(OC2CCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
EPHX2 P34913 1/20 0.52
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
FFAR1 O14842 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
HRH1 P35367 2/20 0.47
ACACB O00763 2/20 0.47
FFAR4 Q5NUL3 7/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CCR3 P51677 1/20 0.46
KCNH2 Q12809 1/20 0.46
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
SRD5A2 P31213 1/20 0.45

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
SCHEMBL13412909 0.97 THRA (0.55) PARP10EPHX2THRATHRBFFAR1
SCHEMBL2347990 0.95 THRA (0.57) PARP10EPHX2THRATHRBFFAR1
SCHEMBL12985424 0.93 EPHX2 (0.54) PARP10EPHX2THRATHRBFFAR1
SCHEMBL3272606 0.85 HRH3 (0.57) EPHX2
SCHEMBL5690387 0.85 HRH1 (0.63) EPHX2HRH1CCR3KCNH2SRD5A2
Hydrochloric Acid SCHEMBL5690396 0.83 HRH1 (0.60) EPHX2HRH1CCR3KCNH2SRD5A2
SCHEMBL5931431 0.83 EPHX2 (0.62) EPHX2HRH1FFAR4CCR3KCNH2
SCHEMBL17610717 0.82 PARP10 (0.51) PARP10EPHX2ALDH1A1TSHRACACB
SCHEMBL17316337 0.81 ACACB (0.48) EPHX2FFAR1ALDH1A1TSHRHRH1
SCHEMBL2354923 0.81 PARP10 (0.50) PARP10EPHX2FFAR1ALDH1A1TSHR

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-107074822-B Triazole compounds as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US disclosed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP disclosed
EP-3194374-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS Idorsia Pharmaceuticals Ltd (CH) 2017-07-26 EP disclosed
WO-2016041892-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-24 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 (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-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G PARP10 1789/4885EPHX2 3536/4885THRA 541/4885

“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.