SCHEMBL4018970

SCHEMBL4018970

CC(C)CCNCc1ccc(Oc2ccc(C(N)=O)c(O)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.42
PRMT6 Q96LA8 4/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARD Q03181 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC1 Q13547 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MET P08581 1/20 0.36
S1PR2 O95136 1/20 0.36

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
SCHEMBL4017097 0.88 PPARD (0.42) CARM1PRMT6NPSR1MAPTPPARD
SCHEMBL4014221 0.88 MEN1 (0.36) NPSR1MAPTMAPK1L3MBTL1MEN1
SCHEMBL4017274 0.83 PPARD (0.39) CARM1PRMT6PPARDLMNAHTT
SCHEMBL4024256 0.82 DRD4 (0.46) CARM1PRMT6PPARDKMT2ALMNA
SCHEMBL3694628 0.81 OPRK1 (0.49) NPSR1MAPTMAPK1L3MBTL1HDAC1
SCHEMBL13773070 0.81 OPRM1 (0.52) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL4358463 0.81 PPARD (0.47) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL3699384 0.81 OPRM1 (0.45) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL3693715 0.78 OPRM1 (0.48) CARM1PRMT6NPSR1MAPTMAPK1
SCHEMBL4019647 0.78 FPR2 (0.38) CARM1PRMT6MAPK1PPARDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US claimed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP claimed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO claimed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US claimed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 CARM1 960/4885PRMT6 663/4885NPSR1 44/4885

“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.