SCHEMBL8264680

SCHEMBL8264680

CC1CC(=O)NN=C1c1ccc2[nH]c(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.64
▸ PDE3A Q14432 12/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ MAOA P21397 1/20 0.64
▸ ADORA2A P29274 1/20 0.64
▸ F10 P00742 1/20 0.56
▸ GPR119 Q8TDV5 6/20 0.51
▸ PDE4A P27815 2/20 0.50
▸ PDE4B Q07343 2/20 0.50
▸ PDE4C Q08493 2/20 0.50
▸ PDE4D Q08499 2/20 0.50
▸ GALR3 O60755 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46

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
Hydrochloric Acid SCHEMBL7322526 0.99 PDE3B (0.63) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL8264681 0.91 PDE3B (0.77) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL10769306 0.90 PDE3B (0.60) PDE3BPDE3AABCB11MAOAADORA2A
Hydrochloric Acid SCHEMBL11290551 0.90 PDE3B (0.76) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL9781454 0.89 PDE3B (0.64) PDE3BPDE3AABCB11MAOAADORA2A
SCHEMBL7712293 0.88 PDE3B (0.61) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL1997246 0.87 PDE3B (0.81) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL2466855 0.87 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL27623 0.87 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A
Pimobendan SCHEMBL29386190 0.87 PDE3B (0.84) PDE3BPDE3AABCB11MAOAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110471-A ADMINISTERING PHOSPHODIESTERASE FOR INHIBITION OF THE CYCLES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-08-29 — — US claimed
EP-0330052-B1 Use of benzimidazoles for preparing a medicine with an anti-ischemial activity on the heart, and combinations with betablockers or bradycardics THOMAE GMBH DR K (DE) 1993-12-15 — — EP claimed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 — — US disclosed
EP-0330052-B1 Use of benzimidazoles for preparing a medicine with an anti-ischemial activity on the heart, and combinations with betablockers or bradycardics THOMAE GMBH DR K (DE) 1993-12-15 — — EP disclosed
EP-0387762-A2 Medicament with positive inotropic activity, containing a synergistically active mixture consisting of a benzimidazole and a beta-blocker, its preparation and use Dr. Karl Thomae GmbH (DE) 1990-09-19 — — EP disclosed
EP-0330052-A2 Use of benzimidazoles for preparing a medicine with an anti-ischemial activity on the heart, and combinations with betablockers or bradycardics Dr. Karl Thomae GmbH (DE) 1989-08-30 — — 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 (1 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK PDE3B 451/4885PDE3A 677/4885ABCB11 40/4885

“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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