SCHEMBL1987166

SCHEMBL1987166

Cc1ccc(CCc2cccc3c4c([nH]c23)CCN(C)C4)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTR6 P50406 8/20 0.48
HRH1 P35367 6/20 0.48
ADRA2A P08913 2/20 0.48
ADRA1A P35348 2/20 0.48
DRD3 P35462 2/20 0.48
BCHE P06276 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1D P28221 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR1E P28566 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL12425273 0.87 HTR6 (0.55) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL1989342 0.81 TAAR1 (0.47) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL12561247 0.80 CHRNA7 (0.55) ALDH1A1KDM4EHTR6DRD3DRD2
SCHEMBL12425198 0.79 HRH1 (0.48) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL1991912 0.78 KDM4E (0.41) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL1992066 0.77 CHRNA7 (0.44) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL1992069 0.77 CHRNA7 (0.44) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL1991064 0.77 KDM4E (0.39) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL1986973 0.76 CHRNA7 (0.45) ALDH1A1KDM4EHTR6HRH1ADRA2A
SCHEMBL2190070 0.73 CHRNA7 (0.61) ALDH1A1KDM4EHTR6DRD3DRD2

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-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
US-8809532-B2 Aza-ring fused indole and indoline derivatives ABBVIE INC. (US) 2014-08-19 US disclosed
US-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES INMT, IDO1, IDO2 ALDH1A1 231/4885KDM4E 326/4885HTR6 73/4885

“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.