SCHEMBL489101

SCHEMBL489101

CCC(C(C)=O)C(=O)OOC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL222338 0.81 SMN1; SMN2 (0.44) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL28126633 0.80 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL27963792 0.77 FAAH (0.31) ALDH1A1LMNAHSD17B10FAAH
SCHEMBL27944121 0.77 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10
SCHEMBL5145223 0.77 TSHR (0.44) ALDH1A1LMNAHSD17B10
SCHEMBL856078 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL28474376 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL28209617 0.76 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL27600925 0.76 CA1 (0.39) ALDH1A1LMNAHSD17B10CA1CA2
SCHEMBL29049226 0.74 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072552-B Preparation method of cilnidipine 湖南九典制药股份有限公司 2021-06-04 CN claimed
CN-111875535-A Nimodipine impurity IV reference substance and preparation method and application thereof 湖南省药品检验研究院(湖南药用辅料检验检测中心) 2020-11-03 CN claimed
CN-111072552-B Preparation method of cilnidipine 湖南九典制药股份有限公司 2021-06-04 CN disclosed
CN-111875535-A Nimodipine impurity IV reference substance and preparation method and application thereof 湖南省药品检验研究院(湖南药用辅料检验检测中心) 2020-11-03 CN disclosed
CN-111875535-A Nimodipine impurity IV reference substance and preparation method and application thereof 湖南省药品检验研究院(湖南药用辅料检验检测中心) 2020-11-03 CN disclosed
CN-111072552-A Preparation method of cilnidipine 湖南九典制药股份有限公司 2020-04-28 CN disclosed
EP-1470108-B1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2016-08-24 EP disclosed
EP-1542683-B1 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS INC (US) 2013-01-09 EP disclosed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7235570-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2007-06-26 US disclosed
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH (IN) 2005-07-21 US disclosed
EP-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 EP disclosed
US-6852742-B2 1,4-dihydropyridine and pyridine compounds as calcium channel blockers VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-02-08 US disclosed
EP-1470108-A1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2004-10-27 EP disclosed
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels Knobbe, Martens, Olson & Bear, LLP 2004-01-08 US disclosed
WO-2003062201-A1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2003-07-31 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-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels RYR2, ORAI1, RYR1 ALDH1A1 3124/4885LMNA 2226/4885HSD17B10 3744/4885
US-20050159455-A1 1,4-dihydropyridine and pyridine compounds as calcium channel blockers RYR1, RYR2, ORAI1 ALDH1A1 2429/4885LMNA 3055/4885HSD17B10 3896/4885

“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.