SCHEMBL4024816

SCHEMBL4024816

O=C(NC1CCN(c2ccnc3c(C(F)(F)F)cccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
PAK1 Q13153 2/20 0.51
P2RX7 Q99572 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD4 P21917 4/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
HTR1A P08908 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
DRD1 P21728 1/20 0.43
MAP3K5 Q99683 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK2A1 P68400 1/20 0.40
STK3 Q13188 1/20 0.40

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
SCHEMBL4024896 0.92 PAK1 (0.51) NCF1PAK1P2RX7MEN1KMT2A
SCHEMBL4582879 0.89 P2RX7 (0.58) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4019702 0.88 P2RX7 (0.54) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4581607 0.86 PAK1 (0.65) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4020775 0.86 P2RX7 (0.54) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4019755 0.85 PAK1 (0.58) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4016261 0.85 DRD2 (0.47) NCF1PAK1P2RX7MEN1KMT2A
SCHEMBL4018866 0.83 PAK1 (0.49) PAK1P2RX7MEN1KMT2ADRD4
SCHEMBL4024845 0.82 DRD2 (0.61) NCF1PAK1P2RX7MEN1KMT2A
SCHEMBL4016278 0.82 DRD4 (0.51) PAK1P2RX7MEN1KMT2ADRD4

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
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
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
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
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 NCF1 2439/4885PAK1 1977/4885P2RX7 193/4885

“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.