SCHEMBL6001695

SCHEMBL6001695

CCc1ccc2cccc(N3CCN(C)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.63
HTR1D P28221 9/20 0.63
HTR1B P28222 9/20 0.63
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
HTR3A P46098 2/20 0.46
SLC6A9 P48067 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR5A P47898 1/20 0.43
DRD1 P21728 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 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
SCHEMBL6313298 0.80 HTR1A (0.63) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL6306922 0.79 HTR5A (0.68) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL3949525 0.79 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL8569099 0.79 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL6002177 0.77 HTR1A (0.62) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL6000211 0.77 HTR1A (0.75) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL6305872 0.77 HTR1A (0.59) HTR1AHTR1DHTR1BDRD2DRD3
SCHEMBL27359418 0.76 HTR1A (0.61) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL8566993 0.75 HTR1A (0.73) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL6312894 0.75 HTR1A (0.75) HTR1AHTR1DHTR1BSLC6A9KCNH2

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 HTR1A 2209/4885HTR1D 970/4885HTR1B 1877/4885

“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.