SCHEMBL3919785

SCHEMBL3919785

Cc1ccc(F)cc1-c1cc(C(=O)O)c(C)n1CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
CNR1 P21554 3/20 0.44
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
SLC6A4 P31645 3/20 0.40
MAPT P10636 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
RORC P51449 2/20 0.37
P2RX7 Q99572 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3919596 0.91 NOTUM (0.50) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL3928549 0.89 NOTUM (0.50) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL3923408 0.87 NOTUM (0.50) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL3928875 0.86 CNR1 (0.60) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL3930951 0.85 CNR1 (0.46) CNR1HTR2AHTR2CSLC6A4MAPT
SCHEMBL13602589 0.83 CNR1 (0.66) CNR1HTR2AHTR2CSLC6A4MAPT
SCHEMBL3927692 0.83 NOTUM (0.53) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL3918258 0.81 NOTUM (0.52) NOTUMCNR1TP53
SCHEMBL3925461 0.80 NOTUM (0.50) NOTUMCNR1HTR2AHTR2CSLC6A4
SCHEMBL3927435 0.79 CNR1 (0.52) NOTUMCNR1HTR2AHTR2CSLC6A4

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