SCHEMBL993688

SCHEMBL993688

Oc1[c]cnc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GPR3 P46089 2/20 0.39
NCF1 P14598 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
ADORA2A P29274 1/20 0.35
PDPK1 O15530 1/20 0.35
CA12 O43570 1/20 0.35
PARP1 P09874 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL5750186 0.74 GPR3 (0.39) KDM4EGPR3NCF1PI4KAPI4K2B
SCHEMBL29092755 0.74 KDM4E (0.39) KDM4EGPR3NCF1PI4KAPI4K2B
SCHEMBL7499612 0.74 PDE4A (0.47) KDM4EGPR3NCF1PI4KAPI4K2B
SCHEMBL19692738 0.72 KDM4E (0.39) KDM4EPARP1CA9KMT2A
SCHEMBL5746542 0.71 LCK (0.41) ERN1NCF1PI4KAPI4K2BPI4K2A
SCHEMBL1706754 0.71 MMP2 (0.39) KDM4ESMN1; SMN2ALOX15MAPTALDH1A1
SCHEMBL5749213 0.69 ERN1 (0.43) ERN1KDM4EGPR3NCF1PI4KA
SCHEMBL22126121 0.69 GPR3 (0.35) KDM4EGPR3NCF1PI4KAPI4K2B
SCHEMBL5750024 0.69 POLB (0.42) KDM4EGPR3ABCG2SMN1; SMN2PDPK1
SCHEMBL29142760 0.69 CYP1A2 (0.39) KDM4EGPR3NCF1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392032-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME Arena Pharmaceuticals, Inc. (US) 2024-07-03 EP claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
WO-2023026185-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR FOR THE TREATMENT OR PREVENTION OF RENAL CYSTIC DISEASE AND CARDIORENAL SYNDROME ARENA PHARMACEUTICALS, INC. (US) 2023-03-02 WO claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
CN-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 CN claimed
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-19 US claimed
WO-2019113359-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2019-06-13 WO claimed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO claimed
EP-1558587-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES AS IMMUNOMODULATORY AGENTS Pfizer Products Inc. (US) 2005-08-03 EP claimed
US-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents PFIZER INC 2004-05-20 US claimed
WO-2004039375-A1 METHODS OF USING CCR1 ANTAGONISTS AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO claimed
WO-2004039787-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO claimed
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents PFIZER INC 2004-05-06 US claimed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US claimed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 US claimed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 EP claimed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 ERN1 4147/4885KDM4E 4728/4885GPR3 16/4885
US-20040087571-A1 Methods of using CCR1 antagonists as immunomodulatory agents CCR1, CCR3, CCRL2 ERN1 1536/4885KDM4E 2987/4885GPR3 159/4885
US-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 ERN1 1284/4885KDM4E 1634/4885GPR3 100/4885
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ERN1 3003/4885KDM4E 4669/4885GPR3 21/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ERN1 4130/4885KDM4E 4739/4885GPR3 16/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 ERN1 4130/4885KDM4E 4739/4885GPR3 16/4885
US-20040097554-A1 Heteroaryl-hexanoic acid amide derivatives as immonomodulatory agents CCR1, HCAR1, CCR3 ERN1 2267/4885KDM4E 4670/4885GPR3 36/4885

“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.