SCHEMBL4024845

SCHEMBL4024845

O=C(NC1CCN(c2ccnc3ccccc23)CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.61
DRD3 P35462 6/20 0.61
DRD4 P21917 5/20 0.61
HTR2A P28223 3/20 0.61
HTR1A P08908 2/20 0.61
HTR2C P28335 2/20 0.61
HTR2B P41595 2/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
P2RX7 Q99572 1/20 0.57
PAK1 Q13153 2/20 0.56
DRD1 P21728 1/20 0.52
TACR1 P25103 1/20 0.45
TACR3 P29371 1/20 0.45
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PABPC1 P11940 1/20 0.44
EIF4H Q15056 1/20 0.44
MAP3K5 Q99683 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL4015411 0.90 DRD4 (0.53) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4016402 0.90 MEN1 (0.56) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4018523 0.89 ALDH1A1 (0.59) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4025054 0.89 P2RX7 (0.54) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4582879 0.88 P2RX7 (0.58) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4023839 0.88 MEN1 (0.52) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4023212 0.87 PAK1 (0.52) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4024415 0.87 PAK1 (0.52) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4582560 0.87 PAK1 (0.52) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL4022815 0.86 DRD2 (0.50) DRD2DRD3DRD4HTR2AHTR1A

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 10 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
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 DRD2 886/4885DRD3 1661/4885DRD4 2347/4885

“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.