SCHEMBL3703568

SCHEMBL3703568

Cc1cccc2c1C(CN)CN2C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 3/20 0.39
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
NISCH Q9Y2I1 1/20 0.35
SIRT1 Q96EB6 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
CASR P41180 1/20 0.32
SLC6A4 P31645 2/20 0.32
HRH1 P35367 1/20 0.31

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
SCHEMBL13385220 0.75 SLC6A2 (0.38) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL20910798 0.72 SLC6A2 (0.36) HTR2CSLC6A2SLC6A3NISCHAADAT
SCHEMBL3703566 0.71 SIRT1 (0.42) SLC6A2SLC6A3NISCHSIRT1AADAT
SCHEMBL16685210 0.68 SLC22A12 (0.34) HTR2AHTR2CHTR2BSLC6A2SLC6A3
SCHEMBL3216668 0.66 NISCH (0.40) HTR2AHTR2CHTR2BNISCHSIRT1
SCHEMBL3216444 0.66 NISCH (0.40) HTR2AHTR2CHTR2BNISCHSIRT1
SCHEMBL3199621 0.66 NISCH (0.40) HTR2AHTR2CHTR2BNISCHSIRT1
SCHEMBL2685298 0.64 CASR (0.49) NISCHSIRT1CASR
SCHEMBL8244323 0.64 PRKACA (0.51) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL24305724 0.63 AADAT (0.45) HTR2AHTR2CHTR2BSLC6A2SLC6A3

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-20120122854-A1 Carbocyclic Fused Cyclic Amines BOEHRINGER MARKUS (CH) 2012-05-17 US disclosed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070112012-A1 Carbocyclic fused cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2007-05-17 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 (2 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-20070112012-A1 Carbocyclic fused cyclic amines F12, F11, F2 HTR2A 1196/4885HTR2C 776/4885HTR2B 433/4885
US-20120122854-A1 Carbocyclic Fused Cyclic Amines F12, F11, F2 HTR2A 1196/4885HTR2C 776/4885HTR2B 433/4885

“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.