SCHEMBL3927435

SCHEMBL3927435

Cc1c(C(=O)O)cc(-c2cc(F)c(Cl)cc2Cl)n1CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.52
NOTUM Q6P988 2/20 0.49
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
SLC6A4 P31645 3/20 0.40
RORC P51449 1/20 0.37
GNRHR P30968 2/20 0.35
P2RX7 Q99572 1/20 0.35
FAAH O00519 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 1/20 0.34
ALPL P05186 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
NOX4 Q9NPH5 1/20 0.34

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
SCHEMBL3920150 0.87 CNR1 (0.59) CNR1HTR2AHTR2CSLC6A4RORC
SCHEMBL3927692 0.86 NOTUM (0.53) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3927465 0.86 CNR1 (0.54) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL13717083 0.84 CNR1 (0.74) CNR1HTR2AHTR2CSLC6A4RORC
SCHEMBL3928189 0.83 CNR1 (0.55) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3928179 0.83 NOTUM (0.50) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL13602631 0.82 CNR1 (0.51) CNR1HTR2AHTR2CSLC6A4P2RX7
SCHEMBL3919596 0.81 NOTUM (0.50) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3928549 0.81 NOTUM (0.50) CNR1NOTUMHTR2AHTR2CSLC6A4
SCHEMBL3916541 0.81 CNR1 (0.73) CNR1NOTUMHTR2AHTR2CSLC6A4

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.