SCHEMBL5630614

SCHEMBL5630614

CC(C)NCCC(O)Oc1ccc(OCCCN)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.42
▸ CARM1 Q86X55 1/20 0.37
▸ ACACB O00763 1/20 0.36
▸ PLA2G7 Q13093 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAOB P27338 1/20 0.33

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
SCHEMBL5630892 0.92 ALDH1A1 (0.38) ADRB2ACACBCYP1A2ALDH1A1NPC1
SCHEMBL5630617 0.80 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL5630902 0.78 XDH (0.39) ACACBPLA2G7ALDH1A1NPC1TP53
SCHEMBL5630620 0.78 XDH (0.39) ACACBPLA2G7ALDH1A1NPC1TP53
SCHEMBL5630899 0.77 ADRB2 (0.52) ADRB2ADRB1ADRB3
SCHEMBL11201278 0.69 SMN1; SMN2 (0.43) ADRB2CYP1A2TSHRMAPK1ADRB1
SCHEMBL11857569 0.67 KDM4E (0.45) ADRB2CYP1A2TSHRADRB1ADRB3
SCHEMBL11201282 0.67 NOS2 (0.41) ADRB2CYP1A2MAPK1ADRB1ADRB3
SCHEMBL12460721 0.67 CYP11B1 (0.45) PLA2G7MAOB
SCHEMBL13822619 0.65 MAOB (0.56) ACACBKDM4EALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ARTESIAN THERAPEUTICS, INC. 2007-03-15 — — US disclosed
EP-1565472-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND BETA-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE Artesian Therapeutics, Inc. (US) 2005-08-24 — — EP disclosed
WO-2004050657-A2 COMPOUNDS WITH MIXED PDE-INHIBITORY AND β-ADRENERGIC ANTAGONIST OR PARTIAL AGONIST ACTIVITY FOR TREATMENT OF HEART FAILURE ARTESIAN THERAPEUTICS, INC. (US) 2004-06-17 — — 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 (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-20070060748-A1 Compounds with mixed pde-inhibitory and beta-adrenergic antagonist or partial agonist activity for treatment of heart failure ADRB3, PDE3A, PDE3B ADRB2 4/4885CARM1 1813/4885ACACB 3171/4885

“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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