SCHEMBL4021867

SCHEMBL4021867

O=C(NC1CCN(c2ncnc3ccccc23)CC1)c1ccc(-n2cccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
PAK1 Q13153 8/20 0.52
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SUV39H1 O43463 1/20 0.48
PRMT1 Q99873 1/20 0.48
SMYD3 Q9H7B4 1/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
DRD3 P35462 2/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PTK2 Q05397 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
AKT1 P31749 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4017150 0.95 SMYD3 (0.56) MAPTRAB9APAK1LMNAHTT
SCHEMBL4582882 0.84 MAPT (0.59) MAPTRAB9ADRD2HTR2ADRD3
SCHEMBL4018090 0.84 PDGFRB (0.60) PAK1LMNAHTTSMN1; SMN2SUV39H1
SCHEMBL4024322 0.84 MAPT (0.58) MAPTRAB9APAK1DRD2HTR2A
SCHEMBL4019439 0.81 MAPT (0.54) MAPTRAB9ASUV39H1PRMT1SMYD3
SCHEMBL4024042 0.76 PAK1 (0.71) PAK1LMNAHTTSMN1; SMN2DRD2
SCHEMBL4023811 0.74 PAK1 (0.60) PAK1LMNAHTTSMN1; SMN2DRD2
SCHEMBL4022666 0.74 PAK1 (0.60) PAK1LMNAHTTSMN1; SMN2DRD2
SCHEMBL4014441 0.74 SMN1; SMN2 (0.47) MAPTPAK1LMNAHTTSMN1; SMN2
SCHEMBL2794592 0.74 LMNA (0.55) PAK1LMNAHTTSMN1; SMN2DRD2

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 6 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
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 MAPT 4750/4885RAB9A 3026/4885PAK1 1977/4885

“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.