SCHEMBL3729424

SCHEMBL3729424

CCN(CC)c1ccc(CC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.58
▸ CNR2 P34972 6/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ CA2 P00918 1/20 0.52
▸ CAMK2A Q9UQM7 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NOX1 Q9Y5S8 1/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ MAPT P10636 2/20 0.50
▸ AKR1B1 P15121 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ ABCC4 O15439 1/20 0.48

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
SCHEMBL29001876 0.86 AOC3 (0.60) AOC3CNR2MEN1KMT2AALDH1A1
SCHEMBL17115661 0.84 AOC3 (0.58) AOC3CNR2MEN1KMT2AALDH1A1
SCHEMBL28030690 0.82 AOC3 (0.61) AOC3CNR2MEN1KMT2AALDH1A1
SCHEMBL17316664 0.82 ALDH1A1 (0.52) AOC3ALDH1A1HPGDHSD17B10CA2
SCHEMBL5449533 0.82 ALDH1A1 (0.61) CNR2ALDH1A1HPGDHSD17B10CA2
SCHEMBL27921971 0.80 ALDH1A1 (0.45) AOC3CNR2MEN1KMT2AALDH1A1
SCHEMBL20369135 0.79 ALDH1A1 (0.49) CNR2ALDH1A1HPGDHSD17B10CA2
SCHEMBL202439 0.79 CA2 (0.56) CNR2MEN1KMT2AALDH1A1HPGD
SCHEMBL14496299 0.79 ALDH1A1 (0.60) CNR2ALDH1A1HPGDHSD17B10NR3C1
SCHEMBL12102412 0.78 NR3C1 (0.50) MEN1KMT2AALDH1A1HPGDHSD17B10

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 16 patents. 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 disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 — — US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 — — US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 — — EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 — — US disclosed
CN-106414429-A Pyrazole compounds and their use as T-type calcium channel blockers 埃科特莱茵药品有限公司 2017-02-15 — — CN disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 — — WO disclosed
US-20100178250-A1 Method of Local Delivery of Bioactive and Diagnostic Agents Using Magnetizable Bone Cement PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2010-07-15 — — US disclosed
US-20080319247-A1 Method of local therapy using magnetizable thermoplastic implant PHILADELPHIA HEALTH & EDUCATION CORPORATION D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2008-12-25 — — US disclosed
WO-2008024675-A2 METHOD OF LOCAL DELIVERY OF BIOACTIVE AND DIAGNOSTIC AGENTS USING MAGNETIZABLE BONE CEMENT PHILADELPHIA HEALTH & EDUCATION CORPORATION D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2008-02-28 — — WO disclosed
EP-0361408-B1 Improved bone cement WOLLF & KAABER AS (DK) 1993-11-24 — — EP disclosed
WO-1990003193-A1 BONE CEMENT WOLFF & KAABER A/S (DK) 1990-04-05 — — WO disclosed
EP-0361408-A2 Improved bone cement Wolff & Kaaber A/S (DK) 1990-04-04 — — EP disclosed
US-4910259-A Acrylated polymer WOLFF & KAABER A/S (DK) 1990-03-20 — — US disclosed
US-4486179-A ESTERS OF SYRINGIC ACID AS ANTICARIES AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1984-12-04 — — US disclosed
US-4362510-A ESTER OF VANILLIC ACID, METAL OXIDE OR HYDROXIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-12-07 — — 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 (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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G AOC3 2118/4885CNR2 279/4885MEN1 711/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G AOC3 2118/4885CNR2 279/4885MEN1 711/4885

“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.

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