SCHEMBL4017668

SCHEMBL4017668

O=C(NC1CCN(c2nccc3ccccc23)CC1)c1c(F)cccc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
PAK1 Q13153 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
HTR2C P28335 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
DRD4 P21917 3/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
SORD Q00796 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4014441 0.84 SMN1; SMN2 (0.47) L3MBTL1PAK1HRH4MALT1
SCHEMBL4019316 0.83 L3MBTL1 (0.46) L3MBTL1CCNE1CDK2HTR2CDRD4
SCHEMBL4017662 0.81 SUV39H1 (0.48) L3MBTL1PAK1
SCHEMBL4017687 0.79 L3MBTL1 (0.42) L3MBTL1CCNE1CDK2HTR2CDRD4
SCHEMBL4019291 0.76 PAK1 (0.63) PAK1HTR2CMALT1HCAR2DRD4
SCHEMBL4016289 0.74 MEN1 (0.55) PAK1HRH4MALT1HCAR2DRD4
SCHEMBL4020162 0.74 DRD4 (0.55) CCNE1CDK2PAK1MALT1DRD4
SCHEMBL4024322 0.74 MAPT (0.58) CCNE1CDK2PAK1HRH4HTR2C
SCHEMBL4016380 0.74 USP30 (0.52) CCNE1CDK2PAK1DRD4DRD2
SCHEMBL4583304 0.74 CNR1 (0.53) CCNE1CDK2PAK1DRD4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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 (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-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 L3MBTL1 4858/4885DPP4 2357/4885DPP7 2301/4885

“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.