SCHEMBL5515078

SCHEMBL5515078

COC(=O)C1(C(C)C)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
MME P08473 1/20 0.31
ALOX15 P16050 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 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
SCHEMBL1837872 0.98 NPSR1 (0.45) NPSR1CYP4F2CYP4A11MAPTMEN1
SCHEMBL5515153 0.91 NPSR1 (0.40) NPSR1CYP4F2CYP4A11MAPTMEN1
SCHEMBL18063144 0.83 NPSR1 (0.44) NPSR1CYP4F2CYP4A11MAPTMEN1
SCHEMBL11375499 0.83 NPSR1 (0.44) NPSR1CYP4F2CYP4A11MAPTMEN1
SCHEMBL23727874 0.81 CYP1A2 (0.38) NPSR1KMT2ACYP1A2LMNA
SCHEMBL13715121 0.81 PKM (0.40) NPSR1CYP3A4ALDH1A1CYP2C9LMNA
SCHEMBL15360992 0.81 POLB (0.36) NPSR1MAPTMEN1KMT2ACYP3A4
SCHEMBL22014295 0.79 SCN1A (0.36) NPSR1CYP1A2CYP2C9USP2
Hydrochloric Acid SCHEMBL23727074 0.79 CYP1A2 (0.37) NPSR1KMT2ACYP1A2LMNA
SCHEMBL6624884 0.79 NPSR1 (0.41) NPSR1CYP4F2CYP4A11MAPTMEN1

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-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2019-10-31 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

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-20190330239-A1 INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 NPSR1 4215/4885CYP4F2 305/4885CYP4A11 461/4885

“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.