SCHEMBL3043968

SCHEMBL3043968

COC(=O)CC1CCC(c2ccc(O)cc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
OPRL1 P41146 13/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MIF P14174 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL2254089 0.87 DGAT1 (0.43) DGAT1OPRL1FFAR4MIFL3MBTL1
SCHEMBL5535425 0.87 DGAT1 (0.43) DGAT1OPRL1FFAR4MIFL3MBTL1
SCHEMBL2254093 0.87 DGAT1 (0.43) DGAT1OPRL1FFAR4MIFL3MBTL1
SCHEMBL23054406 0.78 CHRNB2 (0.41) OPRL1
SCHEMBL30386925 0.78 CHRNB2 (0.41) OPRL1
SCHEMBL17327330 0.77 ESR2 (0.56) DGAT1MIF
SCHEMBL382898 0.77 ESR2 (0.56) DGAT1MIF
SCHEMBL382897 0.77 ESR2 (0.56) DGAT1MIF
SCHEMBL1424560 0.76 MIF (0.47) DGAT1MIFL3MBTL1
SCHEMBL17731210 0.75 KMT2A (0.45) DGAT1L3MBTL1FFAR1

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
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR DGAT1 4223/4885OPRL1 2508/4885FFAR4 2320/4885

“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.