SCHEMBL4379580

SCHEMBL4379580

Cc1c(C(=O)NC2C3CCCCC32)cc(-c2cc(C(F)(F)F)ccc2C(F)(F)F)n1C[C@H]1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CNR2 P34972 12/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4369702 0.92 CNR1 (0.53) CNR1TSHRNPC1RAB9ATDP1
SCHEMBL5615341 0.89 CNR1 (0.66) CNR1TSHRNPC1RAB9ATDP1
SCHEMBL4371133 0.87 CNR1 (0.44) CNR1TSHRNPC1RAB9ATDP1
SCHEMBL4371132 0.87 CNR1 (0.44) CNR1TSHRNPC1RAB9ATDP1
SCHEMBL4376045 0.86 TSHR (0.42) CNR1TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL4383399 0.83 CNR1 (0.41) CNR1TSHRNPC1RAB9ATDP1
SCHEMBL4380363 0.83 CNR1 (0.41) CNR1TSHRNPC1RAB9ATDP1
SCHEMBL4371543 0.83 CNR1 (0.53) CNR1TSHRNPC1RAB9ATDP1
SCHEMBL4371325 0.82 CNR1 (0.65) CNR1CNR2
SCHEMBL5614467 0.81 CNR1 (0.66) CNR1TSHRNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP claimed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 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 (1 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-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 CNR1 1/4885TSHR 497/4885NPC1 359/4885

“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.