SCHEMBL3928587

SCHEMBL3928587

CCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)n(CC2CCCCC2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR2A P28223 6/20 0.46
HTR2C P28335 6/20 0.46
SLC6A4 P31645 6/20 0.46
POLB P06746 1/20 0.43
PLA2G2A P14555 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CRHR1 P34998 1/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL3921491 0.93 ALDH1A1 (0.47) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL3919666 0.89 HTR2A (0.51) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL3921019 0.87 ALDH1A1 (0.61) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL13717054 0.86 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL3928022 0.85 HTR2A (0.56) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL3923363 0.84 HTR2A (0.51) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL13716928 0.84 ALDH1A1 (0.49) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL13716929 0.84 ALDH1A1 (0.45) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL3928010 0.83 HTR2A (0.51) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL3927670 0.82 HTR2A (0.50) ALDH1A1HPGDMAPTMEN1LMNA

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 18 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 claimed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US claimed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US claimed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed
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 ALDH1A1 1464/4885HPGD 1767/4885MAPT 4278/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 ALDH1A1 1498/4885HPGD 1926/4885MAPT 3966/4885

“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.