SCHEMBL6000211

SCHEMBL6000211

COc1ccc2cccc(N3CCN(C)CC3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.75
HTR1D P28221 9/20 0.75
HTR1B P28222 9/20 0.75
MTNR1B P49286 1/20 0.64
HTR6 P50406 4/20 0.54
ADRB2 P07550 2/20 0.54
ADRB1 P08588 2/20 0.54
ADRA2A P08913 2/20 0.54
DRD2 P14416 2/20 0.54
ADRA2B P18089 2/20 0.54
ADRA2C P18825 2/20 0.54
DRD1 P21728 2/20 0.54
DRD4 P21917 2/20 0.54
SLC6A2 P23975 2/20 0.54
HRH2 P25021 2/20 0.54
ADRA1D P25100 2/20 0.54
HTR2A P28223 2/20 0.54
HTR2C P28335 2/20 0.54
SLC6A4 P31645 2/20 0.54
HTR7 P34969 2/20 0.54

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
SCHEMBL6314991 0.89 HTR1A (0.64) HTR1AHTR1DHTR1BMTNR1BKDM4E
SCHEMBL6306333 0.88 HTR1A (0.60) HTR1AHTR1DHTR1BMTNR1BDRD4
SCHEMBL8566993 0.87 HTR1A (0.73) HTR1AHTR1DHTR1BMTNR1BHTR6
SCHEMBL1738849 0.84 HTR5A (0.63) HTR1AHTR1DHTR1BMTNR1BHTR6
SCHEMBL9287039 0.84 HTR1A (0.62) HTR1AHTR1DHTR1BMTNR1BHTR6
SCHEMBL9284653 0.84 HTR1A (0.62) HTR1AHTR1DHTR1BMTNR1BHTR6
SCHEMBL9204835 0.84 HTR1A (0.59) HTR1AHTR1DHTR1BMTNR1BHTR6
SCHEMBL6313399 0.84 HTR1A (0.69) HTR1AHTR1DHTR1BMTNR1BHTR6
Hydrochloric Acid SCHEMBL9639755 0.83 HTR1A (0.61) HTR1AHTR1DHTR1BMTNR1BHTR6
Hydrochloric Acid SCHEMBL5253513 0.83 HTR5A (0.62) HTR1AHTR1DHTR1BMTNR1BHTR6

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-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
US-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 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-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.