SCHEMBL4019316

SCHEMBL4019316

O=C(NC1CCN(c2ccnc3ccccc23)CC1)c1c(F)cccc1I

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
AR P10275 2/20 0.45
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
HTR2A P28223 4/20 0.43
HTR1A P08908 3/20 0.43
DRD4 P21917 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
DRD1 P21728 1/20 0.41
MAP3K5 Q99683 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL4017687 0.95 L3MBTL1 (0.42) L3MBTL1ARDRD2DRD3HTR2A
SCHEMBL4014441 0.85 SMN1; SMN2 (0.47) L3MBTL1
SCHEMBL4017668 0.83 L3MBTL1 (0.45) L3MBTL1DRD2DRD3DRD4HTR2C
SCHEMBL4017662 0.81 SUV39H1 (0.48) L3MBTL1
SCHEMBL14183887 0.76 RAB9A (0.47) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4024845 0.76 DRD2 (0.61) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL28250634 0.75 ADRB2 (0.51) DRD2DRD3ADRB2NCF1PDGFRB
SCHEMBL4017685 0.74 ADRB2 (0.34) DRD2DRD3ADRB2NCF1PDGFRB
SCHEMBL14515649 0.74 SMPD3 (0.50) ADRB2NCF1
SCHEMBL4016402 0.74 MEN1 (0.56) L3MBTL1DRD2DRD3HTR2AHTR1A

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
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US 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
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

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 4858/4885AR 663/4885DRD2 886/4885

“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.