SCHEMBL4918308

SCHEMBL4918308

O=C(NC1CCN(c2ccnc3ccccc23)CC1)c1sccc1Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.49
HTR2A P28223 4/20 0.49
HTR1A P08908 3/20 0.49
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
DRD3 P35462 7/20 0.42
DRD4 P21917 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
PDGFRB P09619 1/20 0.41
DRD1 P21728 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.39
HPGDS O60760 1/20 0.39

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
SCHEMBL14183873 0.86 ALDH1A1 (0.54) ADRB2NCF1MEN1KMT2A
SCHEMBL14259325 0.83 ADRB2 (0.43) DRD2HTR2AHTR1AADRB2NCF1
SCHEMBL4017665 0.76 MEN1 (0.44) DRD2DRD3MEN1KMT2A
SCHEMBL14183875 0.76 ALDH1A1 (0.56) ADRB2NCF1MEN1KMT2A
SCHEMBL28250634 0.76 ADRB2 (0.51) DRD2ADRB2NCF1DRD3PDGFRB
SCHEMBL4016402 0.75 MEN1 (0.56) DRD2HTR2AHTR1ADRD3DRD4
SCHEMBL4582882 0.74 MAPT (0.59) DRD2HTR2AHTR1AADRB2NCF1
SCHEMBL4020873 0.74 PDGFRB (0.61) PDGFRBHPGDS
SCHEMBL14183887 0.74 RAB9A (0.47) DRD2HTR2AHTR1AADRB2NCF1
SCHEMBL4024845 0.74 DRD2 (0.61) DRD2HTR2AHTR1AADRB2NCF1

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 3 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 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

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 886/4885HTR2A 25/4885HTR1A 57/4885

“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.