SCHEMBL3928554

SCHEMBL3928554

COc1ccc(Cl)cc1-c1cc(C(=O)NN2CCCCC2)c(C)n1CC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A4 P31645 2/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
DRD2 P14416 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CNR2 P34972 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6464552 0.94 CNR1 (0.43) CNR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL3930525 0.90 PLA2G2A (0.44) CNR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL3928219 0.89 CNR1 (0.44) CNR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL3931062 0.89 CNR1 (0.56) CNR1HTR2AHTR2CSLC6A4CNR2
SCHEMBL3923383 0.89 CNR1 (0.48) CNR1HTR2AHTR2CSLC6A4MAPT
SCHEMBL3921947 0.88 CNR1 (0.46) CNR1HTR2AHTR2CSLC6A4CNR2
SCHEMBL3916522 0.87 CNR1 (0.51) CNR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL13602539 0.87 CNR1 (0.47) CNR1HTR2AHTR2CSLC6A4CNR2
SCHEMBL3919181 0.87 CNR1 (0.48) CNR1HTR2AHTR2CSLC6A4MAPT
SCHEMBL3920985 0.87 CNR1 (0.50) CNR1HTR2AHTR2CSLC6A4CNR2

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 10 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-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US claimed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US 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-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-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 CNR1 1/4885HTR2A 251/4885HTR2C 180/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885HTR2A 255/4885HTR2C 240/4885

“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.