SCHEMBL489372

SCHEMBL489372

C/C(N)=C/C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
TSHR P16473 2/20 0.46
OPRK1 P41145 7/20 0.36
CA12 O43570 1/20 0.36
AKR1B10 O60218 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AKR1B1 P15121 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 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
SCHEMBL8521397 1.00 HCAR2 (0.46) HCAR2TSHROPRK1CA12AKR1B10
SCHEMBL489374 1.00 HCAR2 (0.46) HCAR2TSHROPRK1CA12AKR1B10
SCHEMBL6861008 0.86 LMNA (0.38) HCAR2TSHROPRK1LMNAALOX15
SCHEMBL11494167 0.81 HCAR2 (0.46) HCAR2TSHRCA12AKR1B10CA1
Hydrochloric Acid SCHEMBL22400629 0.81 HCAR2 (0.46) HCAR2TSHRCA12AKR1B10CA1
SCHEMBL11494163 0.81 HCAR2 (0.46) HCAR2TSHRCA12AKR1B10CA1
SCHEMBL9674283 0.80 TSHR (0.31) TSHR
SCHEMBL21680864 0.80 TSHR (0.31) TSHR
SCHEMBL10589861 0.80 TSHR (0.31) TSHR
SCHEMBL9674276 0.80 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-113317995-B Dental restoration material for oral science and preparation method thereof 云南中辉口腔医院有限公司 2022-06-07 CN claimed
CN-113317995-A Dental restoration material for oral science and preparation method thereof 宁波因天之序生物科技有限公司 2021-08-31 CN claimed
US-7329756-B2 Process for the manufacture of Isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2008-02-12 US claimed
US-20060167063-A1 Process for the manufacture of isradipine SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2006-07-27 US claimed
WO-2005005437-A1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF ISRADIPINE. SHASUN CHEMICALS AND DRUGS LIMITED (IN) 2005-01-20 WO claimed
EP-0302980-B1 1,4-DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DELAGRANGE S.A. (ES) 1991-03-13 EP claimed
EP-0167068-B1 Isopropyl-2[2-(3-trifluoromethylphenoxy)ethyl]ester of 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylic acid, process for its preparation, and its use as a medicine BAYER AG (DE) 1990-02-28 EP claimed
EP-0167068-A2 Isopropyl-2[2-(3-trifluoromethylphenoxy)ethyl]ester of 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylic acid, process for its preparation, and its use as a medicine BAYER AG (DE) 1986-01-08 EP claimed
CN-121574135-A Method for synthesizing 7-oxa-2-azabicyclo [3.3.1] non-3-alkene-1-alcohol by rare earth catalysis 北京化工大学 2026-02-27 CN disclosed
CN-119859377-A Polyacetal resin composition 旭化成株式会社 2025-04-22 CN disclosed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
US-12227479-B2 Dihydropyridines for the treatment of cognitive impairment or traumatic brain injury THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2025-02-18 US disclosed
CN-117865824-A Preparation method of nimodipine intermediate 山东省农药科学研究院 2024-04-12 CN disclosed
EP-0010130-B1 SILA-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1981-12-23 EP disclosed
US-4307103-A TREATMENT OF HYPERTENSION AND CARDIOVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-22 US disclosed
EP-0009206-B1 FLUOR-CONTAINING 1,4-DIHYDROPYRIDINES, PHARMACEUTICALS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1981-10-14 EP disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
EP-0002208-A1 Nitro 1,4-dihydropyridines, medicaments containing them and their manufacture BAYER AG (DE) 1979-06-13 EP disclosed
EP-0001054-A2 2-Pyridyl-1,4-dihydropyridine derivatives, methods for their preparation and their pharmaceutical use BAYER AG (DE) 1979-03-21 EP 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-20060167063-A1 Process for the manufacture of isradipine ACMSD, AASDHPPT, DDC HCAR2 43/4885TSHR 4201/4885OPRK1 542/4885
US-12227479-B2 Dihydropyridines for the treatment of cognitive impairment or traumatic brain injury GAP43, SYNJ1, PSD HCAR2 1682/4885TSHR 4511/4885OPRK1 854/4885

“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.