SCHEMBL6001697

SCHEMBL6001697

CN1CCN(C2=CCSc3ccc(Cl)cc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD4 P21917 4/20 0.47
LMNA P02545 3/20 0.47
HTR3A P46098 2/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL6001718 0.78 DRD2 (0.52) DRD2DRD4CHRM2HTR1AADRA2A
SCHEMBL6001630 0.76 DRD2 (0.44) DRD2DRD4LMNAHTR3ACHRM2
SCHEMBL10872963 0.73 DRD2 (0.62) DRD2DRD4LMNAHTR3ACHRM2
SCHEMBL6208140 0.71 DRD2 (0.72) DRD2DRD4LMNAHTR3ACHRM2
SCHEMBL6001944 0.70 DRD2 (0.44) DRD2LMNAHTR3ACHRM1HRH1
SCHEMBL6210382 0.68 DRD2 (0.66) DRD2DRD4LMNAHTR3ACHRM2
SCHEMBL24444523 0.68 TP53 (0.84) DRD2DRD4LMNAHTR3ACHRM2
SCHEMBL11875430 0.67 TP53 (0.57) DRD2DRD4LMNAHTR3ACHRM2
SCHEMBL19403575 0.66 ALDH1A1 (0.67) LMNAHTR1ATP53MAPTPOLB
SCHEMBL6002212 0.66 DRD2 (0.49) DRD2DRD4CHRM2HTR1AADRA2A

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 1222/4885DRD4 2332/4885LMNA 455/4885

“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.