SCHEMBL6001718

SCHEMBL6001718

CN1CCN(C2=CCSc3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.52
DRD3 P35462 2/20 0.52
HTR2A P28223 1/20 0.52
DRD4 P21917 5/20 0.46
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL6002212 0.86 DRD2 (0.49) DRD2DRD3HTR2ADRD4CHRM2
SCHEMBL6001697 0.78 DRD2 (0.47) DRD2DRD3HTR2ADRD4CHRM2
SCHEMBL8244044 0.74 DRD2 (0.48) DRD2DRD3HTR2ADRD4TDP2
SCHEMBL3286899 0.69 DRD3 (1.00) DRD2DRD3HTR2ACHRM2HTR1A
SCHEMBL6208232 0.68 DRD3 (0.63) DRD2DRD3HTR2ADRD4CHRM2
SCHEMBL8579211 0.66 MAPT (0.51) DRD2DRD3HTR2ADRD4CHRM2
SCHEMBL14114151 0.66 HPGD (0.41) DRD2DRD3HTR2ACHRM2HTR1A
SCHEMBL6001630 0.66 DRD2 (0.44) DRD2DRD3HTR2ADRD4CHRM2
SCHEMBL17249923 0.64 DNMT1 (0.64) DRD2DRD4ADORA3CYP2D6CYP2C19
SCHEMBL4649553 0.63 DNMT1 (0.83) DRD2DRD4TDP2NSD2PLA2G1B

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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 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-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 DRD2 1222/4885DRD3 580/4885HTR2A 1597/4885

“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.