SCHEMBL6709455

SCHEMBL6709455

CCc1ccc(C2CCNCC2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.59
HTR6 P50406 7/20 0.49
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 6/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 3/20 0.46

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
SCHEMBL24371605 0.89 PTGS2 (0.47) HTR2CHTR2A
SCHEMBL5937352 0.86 HTR6 (0.48) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL6789169 0.82 HTR6 (0.46) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL22542016 0.81 SLC6A2 (0.63) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL2707057 0.81 HTR2C (0.63) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL15070072 0.81 HTR2C (0.55) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL6709234 0.79 TRPA1 (0.47) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL25085586 0.79 HTR6 (0.51) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL5669793 0.79 HTR2C (0.61) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL23712339 0.79 HTR2C (0.61) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 US claimed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 HTR2C 1120/4885HTR6 705/4885SLC6A2 2604/4885

“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.