SCHEMBL2515840

SCHEMBL2515840

CC1(C)OB(c2cnn(CC3CCCC3)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
PDK2 Q15119 2/20 0.34
ENPP2 Q13822 1/20 0.34
KLKB1 P03952 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SCD5 Q86SK9 1/20 0.33
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
LRRK2 Q5S007 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
P2RX7 Q99572 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
PKM P14618 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL14858165 0.99 FFAR1 (0.53) FFAR1PDK2ENPP2KLKB1NPC1
SCHEMBL2997065 0.97 FFAR1 (0.55) FFAR1PDK2ENPP2KLKB1NPC1
SCHEMBL1559915 0.94 FFAR1 (0.57) FFAR1LPLLIPGIRAK4
SCHEMBL13412130 0.89 FFAR1 (0.52) FFAR1LRRK2
SCHEMBL20899310 0.89 FFAR1 (0.56) FFAR1LPLLIPG
SCHEMBL31180956 0.88 FFAR1 (0.54) FFAR1PDK2LPLLIPG
SCHEMBL20541140 0.88 FFAR1 (0.51) FFAR1LPLLIPGHRH4
SCHEMBL26702441 0.88 FFAR1 (0.51) FFAR1ENPP2LPLLIPGHRH4
SCHEMBL14858108 0.87 FFAR1 (0.48) FFAR1
SCHEMBL14857691 0.87 FFAR1 (0.48) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644992-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-03-29 EP disclosed
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US disclosed
US-10933056-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2021-03-02 US disclosed
EP-3769763-A1 3-(1H-PYRAZOL-4-YL) PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-01-27 EP disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
EP-3393472-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-07-02 US disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 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 (6 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 FFAR1 285/4885PDK2 3635/4885ENPP2 243/4885
US-20200207758-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 FFAR1 498/4885PDK2 2864/4885ENPP2 590/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 FFAR1 285/4885PDK2 3635/4885ENPP2 243/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 FFAR1 3190/4885PDK2 440/4885ENPP2 3088/4885
US-10933056-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 FFAR1 498/4885PDK2 2864/4885ENPP2 590/4885
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 FFAR1 498/4885PDK2 2864/4885ENPP2 590/4885

“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.