SCHEMBL2882086

SCHEMBL2882086

Cc1ccc(F)cc1[C@@H]1CCNC[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
HTR6 P50406 1/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MPO P05164 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL2877763 1.00 HTR2A (0.43) HTR2AHTR2CTLR9TLR8TLR7
SCHEMBL2877759 0.88 TACR1 (0.40) HTR2AHTR2CTLR9TLR8TLR7
SCHEMBL2877760 0.88 TACR1 (0.40) HTR2AHTR2CTLR9TLR8TLR7
SCHEMBL2882083 0.88 TACR1 (0.40) HTR2AHTR2CTLR9TLR8TLR7
SCHEMBL2882600 0.79 SLC6A4 (0.44) HTR2AHTR2CCHRNB2CHRNB4CHRNA3
SCHEMBL27654682 0.79 SLC6A4 (0.44) HTR2AHTR2CCHRNB2CHRNB4CHRNA3
SCHEMBL2883172 0.78 HTR2C (0.54) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL2880905 0.78 HTR2C (0.54) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL2883946 0.78 HTR2C (0.54) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2883295 0.77 HTR2C (0.56) HTR2AHTR2C

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-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 HTR2A 138/4885HTR2C 699/4885TLR9 1758/4885

“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.