SCHEMBL3928189

SCHEMBL3928189

Cc1c(C(=O)O)cc(-c2cc(Cl)ccc2Cl)n1CC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.55
NOTUM Q6P988 3/20 0.50
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
SLC6A4 P31645 3/20 0.45
PTGER1 P34995 2/20 0.41
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
METAP2 P50579 1/20 0.38
ALOX5 P09917 1/20 0.38
RORC P51449 1/20 0.37
CRHR1 P34998 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37

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
SCHEMBL3928179 0.91 NOTUM (0.50) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3923408 0.91 NOTUM (0.50) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL13745396 0.90 CNR1 (0.54) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3925461 0.89 NOTUM (0.50) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3916541 0.86 CNR1 (0.73) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3930588 0.86 CNR1 (0.63) CNR1HTR2AHTR2CSLC6A4TP53
SCHEMBL3931062 0.85 CNR1 (0.56) CNR1HTR2AHTR2CSLC6A4
SCHEMBL3927435 0.83 CNR1 (0.52) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL13717145 0.83 CNR1 (0.79) CNR1HTR2AHTR2CSLC6A4CRHR1
SCHEMBL13717274 0.83 CNR1 (0.79) CNR1HTR2AHTR2CSLC6A4CRHR1

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 1/4885NOTUM 3125/4885HTR2A 251/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 CNR1 1/4885NOTUM 3512/4885HTR2A 255/4885

“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.