SCHEMBL3928561

SCHEMBL3928561

CCCCNC(=O)c1cc(-c2ccccc2)n(CC2CCCCC2)c1C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.66
HTR2C P28335 17/20 0.66
SLC6A4 P31645 17/20 0.66
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
HTR6 P50406 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL3920295 0.92 HTR2A (0.57) HTR2AHTR2CSLC6A4HTTALDH1A1
SCHEMBL3919207 0.90 HTR2A (0.55) HTR2AHTR2CSLC6A4HTTTP53
SCHEMBL3916542 0.90 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL3919179 0.90 HTR2A (0.55) HTR2AHTR2CSLC6A4HTTALDH1A1
SCHEMBL13602697 0.90 HTR2A (0.55) HTR2AHTR2CSLC6A4HTTALDH1A1
SCHEMBL3921140 0.89 HTR2A (0.55) HTR2AHTR2CSLC6A4HTTALDH1A1
SCHEMBL3918750 0.89 HTR2A (0.69) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL3918250 0.89 HTR2A (0.57) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL13602481 0.89 HTR2A (0.55) HTR2AHTR2CSLC6A4HTTALDH1A1
SCHEMBL3922364 0.88 HTR2A (0.54) HTR2AHTR2CSLC6A4HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 HTR2A 251/4885HTR2C 180/4885SLC6A4 830/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 HTR2A 255/4885HTR2C 240/4885SLC6A4 853/4885

“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.