SCHEMBL4372553

SCHEMBL4372553

Cc1ccc(F)cc1-c1nc(C(=O)NC2CCCCC2)c(C)n1CC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 3/20 0.46
KDM4E B2RXH2 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
ABL1 P00519 2/20 0.44
CNR1 P21554 8/20 0.44
CNR2 P34972 8/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL3916107 0.89 ABL1 (0.47) ALDH1A1ABL1CNR1CNR2NPC1
SCHEMBL3917692 0.88 ABL1 (0.48) ALDH1A1ABL1CNR1CNR2NPC1
SCHEMBL4371339 0.86 TP53 (0.43) TP53RXFP1KDM4EGLAGAA
SCHEMBL4371355 0.80 CNR1 (0.49) TP53RXFP1KDM4EGLAGAA
SCHEMBL3917611 0.76 CNR1 (0.48) CNR1CNR2
SCHEMBL13716948 0.76 P2RX7 (0.37) ABL1CNR1CNR2NPC1RAB9A
SCHEMBL3921306 0.76 ABL1 (0.40) TP53ABL1
SCHEMBL3922930 0.73 MAPK14 (0.40) ABL1CNR1CNR2HPGD
SCHEMBL3919308 0.73 CNR1 (0.55) GAACNR1CNR2TSHRHPGD
SCHEMBL3919312 0.73 CNR1 (0.55) GAACNR1CNR2TSHRHPGD

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
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-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP 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 TP53 4711/4885RXFP1 443/4885KDM4E 2392/4885

“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.