SCHEMBL3922337

SCHEMBL3922337

Cc1c(C(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)ccc2F)n1CC1CCC(O)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.63
CRHR1 P34998 16/20 0.46
CRHR2 Q13324 3/20 0.45
CNR2 P34972 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13717339 1.00 CNR1 (0.63) CNR1CRHR1CRHR2CNR2MEN1
SCHEMBL3928194 0.95 CNR1 (0.66) CNR1CRHR1CRHR2CNR2MEN1
SCHEMBL3916898 0.89 CNR1 (0.60) CNR1CRHR1CRHR2CNR2MEN1
SCHEMBL3916901 0.89 CNR1 (0.60) CNR1CRHR1CRHR2CNR2MEN1
SCHEMBL13717335 0.89 CNR1 (0.60) CNR1CRHR1CRHR2CNR2MEN1
SCHEMBL5570586 0.89 CNR1 (0.60) CNR1CRHR1CRHR2CNR2MEN1
SCHEMBL3919720 0.88 CNR1 (0.64) CNR1CRHR1CRHR2MEN1ALDH1A1
SCHEMBL13717094 0.88 CNR1 (0.79) CNR1CRHR1CRHR2CNR2
SCHEMBL3927712 0.88 CNR1 (0.78) CNR1CRHR1CRHR2
SCHEMBL13717181 0.87 CNR1 (0.83) CNR1CRHR1CRHR2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 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-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
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 CNR1 1/4885CRHR1 11/4885CRHR2 47/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885CRHR1 12/4885CRHR2 71/4885

“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.