SCHEMBL4582882

SCHEMBL4582882

O=C(NC1CCN(c2ccnc3ccccc23)CC1)c1ccc(-n2cccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
RAB9A P51151 1/20 0.59
DRD2 P14416 9/20 0.46
DRD3 P35462 9/20 0.46
HTR2A P28223 4/20 0.46
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
AR P10275 2/20 0.44
KMT2A Q03164 1/20 0.44
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
HTR1A P08908 2/20 0.42
DRD4 P21917 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
DRD1 P21728 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL4019439 0.95 MAPT (0.54) MAPTRAB9ADRD2DRD3HTR2A
SCHEMBL4021867 0.84 MAPT (0.58) MAPTRAB9ADRD2DRD3HTR2A
SCHEMBL4020873 0.83 PDGFRB (0.61) MAPTARCCNE1CDK2PDGFRB
SCHEMBL4024322 0.82 MAPT (0.58) MAPTRAB9ADRD2DRD3HTR2A
SCHEMBL4017150 0.81 SMYD3 (0.56) MAPTRAB9ADRD2DRD3HTR2A
SCHEMBL4020856 0.79 DRD2 (0.43) MAPTRAB9ADRD2DRD3HTR2A
SCHEMBL28250634 0.77 ADRB2 (0.51) DRD2DRD3ADRB2NCF1CKS1B
SCHEMBL22262729 0.76 ADRB2 (0.45) DRD2DRD3HTR2AADRB2NCF1
SCHEMBL14183887 0.75 RAB9A (0.47) RAB9ADRD2DRD3HTR2AADRB2
SCHEMBL4024845 0.75 DRD2 (0.61) DRD2DRD3HTR2AADRB2NCF1

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
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 MAPT 4750/4885RAB9A 3026/4885DRD2 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.