SCHEMBL2297398

SCHEMBL2297398

CC1(C)Cc2cc[c]cc2O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL693640 0.85 ALDH1A1 (0.33) ALDH1A1MAPTKDM4E
SCHEMBL1147445 0.81 PKM (0.36) ALDH1A1MAPTKDM4E
SCHEMBL27792494 0.72 MAPT (0.54) ALDH1A1MAPTKDM4E
SCHEMBL1441712 0.71 PKM (0.41) ALDH1A1MAPTKDM4E
SCHEMBL639912 0.70 MAPT (0.38) ALDH1A1MAPTKDM4E
SCHEMBL10584551 0.67 CNR1 (0.33)
SCHEMBL2884588 0.67 TSHR (0.44)
SCHEMBL5685700 0.67
SCHEMBL5685718 0.67
SCHEMBL19030887 0.67 ALDH1A1 (0.32) ALDH1A1MAPTKDM4E

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US claimed
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-19 US claimed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US claimed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP claimed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US claimed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
US-5536725-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1996-07-16 US claimed
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
CN-106414429-B Pyrazole compounds and their use 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
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed
US-5712281-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1998-01-27 US disclosed
US-5536725-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1996-07-16 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 (5 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MAPT 1301/4885KDM4E 3649/4885
US-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G ALDH1A1 3606/4885MAPT 1351/4885KDM4E 3001/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 ALDH1A1 467/4885MAPT 3557/4885KDM4E 521/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MAPT 1301/4885KDM4E 3649/4885
US-20180105496-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G ALDH1A1 3435/4885MAPT 1301/4885KDM4E 3649/4885

“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.