SCHEMBL1837872

SCHEMBL1837872

COC(=O)C1(C(C)C)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MME P08473 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
SCHEMBL5515078 0.98 NPSR1 (0.47) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL5515153 0.89 NPSR1 (0.40) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL11375499 0.85 NPSR1 (0.44) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL28852626 0.81 TSHR (0.41) NPSR1TSHR
SCHEMBL18063144 0.81 NPSR1 (0.44) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL23727874 0.79 CYP1A2 (0.38) NPSR1KMT2ACYP1A2LMNAKDM4E
SCHEMBL15360992 0.79 POLB (0.36) NPSR1MAPTCYP3A4MEN1KMT2A
SCHEMBL13715121 0.79 PKM (0.40) NPSR1CYP3A4ALDH1A1CYP2C9LMNA
SCHEMBL13914177 0.79 NPSR1 (0.39) NPSR1MAPTCYP4F2CYP4A11CYP3A4
SCHEMBL22014295 0.78 SCN1A (0.36) NPSR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-07-17 US disclosed
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-24 US disclosed
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-08-24 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
EP-2320738-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TransTech Pharma, Inc. (US) 2011-05-18 EP disclosed
WO-2010025142-A1 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2010-03-04 WO disclosed
US-4283420-A ANTICONVULSANTS, ANTIANAPHYLACTIC AGENTS, ANTIPSYCHOTIC AGENTS LABAZ (FR) 1981-08-11 US 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 (2 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-10023564-B2 G protein-coupled receptor kinase 2 inhibitors and methods for use of the same GRK2, GRK4, GRK5 NPSR1 753/4885MAPT 4473/4885CYP4F2 1610/4885
US-20170240538-A1 G PROTEIN-COUPLED RECEPTOR KINASE 2 INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK5 NPSR1 753/4885MAPT 4473/4885CYP4F2 1610/4885

“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.