SCHEMBL3555024

SCHEMBL3555024

Cc1cccc(N2CCN(C)CC2)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.59
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
HRH4 Q9H3N8 2/20 0.48
HTR1A P08908 2/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 2/20 0.46
PTK2B Q14289 2/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 2/20 0.45
NCF1 P14598 1/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL9059115 0.83 KEAP1 (0.55) MAPTMAPK1GAAPTK2BHTT
SCHEMBL31172405 0.83 ADRA2C (0.72) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL1509507 0.83 ADRA2C (0.72) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL13243993 0.81 ADRB1 (0.65) ADRA2CDRD2DRD3MAPTKDM4E
SCHEMBL31321222 0.81 ALDH1A1 (0.41) ADRA2CMAPTKDM4EMAPK1GAA
SCHEMBL27195995 0.81 ALDH1A1 (0.41) ADRA2CMAPTKDM4EMAPK1GAA
SCHEMBL173027 0.80 ADRB1 (0.62) ADRA2CDRD2DRD3HTR1AMAPT
SCHEMBL30656303 0.80 ADRB1 (0.62) ADRA2CDRD2DRD3HTR1AMAPT
SCHEMBL23294841 0.80 ADRA2C (0.58) ADRA2CDRD2DRD3HTR1ADRD4
SCHEMBL9059565 0.80 LGMN (0.46) ADRA2CMAPTMAPK1GAAPTK2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-1257892-C New indole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
CN-1527816-A Novel indole derivatives having 5-HT 6 receptor affinity - 2004-09-08 CN 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ADRA2C 161/4885DRD2 3571/4885DRD3 3387/4885

“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.