SCHEMBL1040185

SCHEMBL1040185

COc1cccc(CNC2CC2)c1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.88
TSHR P16473 2/20 0.61
KDM1A O60341 2/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
HTT P42858 2/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
CHRM2 P08172 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TACR1 P25103 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KCNH2 Q12809 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL5678905 0.92 ALDH1A1 (0.97) ALDH1A1TSHRKDM1AMAOAMAOB
SCHEMBL8690941 0.90 ALDH1A1 (0.76) ALDH1A1TSHRKDM1AMAOAMAOB
SCHEMBL375093 0.90 ALDH1A1 (0.76) ALDH1A1TSHRKDM1AMAOAMAOB
SCHEMBL5365488 0.84 ALDH1A1 (0.69) ALDH1A1TSHRKDM1AMAOAMAOB
SCHEMBL2096817 0.84 ALDH1A1 (0.68) ALDH1A1TSHRKDM1AMAOAMAOB
SCHEMBL57079 0.82 ALDH1A1 (0.86) ALDH1A1TSHRHTTLMNAL3MBTL1
SCHEMBL695510 0.82 ALDH1A1 (0.62) ALDH1A1TSHRKDM1AMAOAMAOB
Ammonia Solution, Strong SCHEMBL9637696 0.80 ALDH1A1 (0.59) ALDH1A1TSHRKDM1A
SCHEMBL2466378 0.80 CARM1 (0.68) ALDH1A1KDM1ACHRM2
SCHEMBL29456931 0.80 CARM1 (0.68) ALDH1A1KDM1ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed
EP-4744664-A2 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2026-05-20 EP disclosed
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2024-11-21 US disclosed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 US disclosed
CN-109384729-B Pyrimidinedione compounds for cardiac disorders 迈奥卡迪亚公司 2023-06-30 CN disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 US disclosed
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 US disclosed
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2020-12-17 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004105762-A1 MEDICAL USE OF DIAZABICYCLONONENE DERIVATIVES AS INHIBITORS OF PARASITE ASPARTIC PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 WO disclosed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC ALDH1A1 1245/4885TSHR 593/4885KDM1A 4158/4885
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885TSHR 4019/4885KDM1A 3838/4885
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885TSHR 4019/4885KDM1A 3838/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC ALDH1A1 1245/4885TSHR 593/4885KDM1A 4158/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885TSHR 4019/4885KDM1A 3838/4885

“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.