SCHEMBL4375154

SCHEMBL4375154

Cc1c(C(=O)O)nc(-c2cc(Cl)ccc2Cl)n1CC1CCCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
APOBEC3G Q9HC16 1/20 0.40
KMT2A Q03164 3/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4371432 0.88 CNR1 (0.42) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL3922942 0.79 ALOX5 (0.44) PTGER1MAPTCYP3A4CNR1CNR2
SCHEMBL3922705 0.77 ALOX5 (0.44) PTGER1MAPTCYP3A4CNR1CNR2
SCHEMBL4371355 0.77 CNR1 (0.49) SMN1; SMN2LMNAALDH1A1HSD17B10KMT2A
SCHEMBL4370602 0.77 HTR2C (0.38) SMN1; SMN2HTTLMNAALDH1A1HPGD
SCHEMBL4375072 0.75 CNR1 (0.49) CNR1CNR2GAA
SCHEMBL6460491 0.75 TNK2 (0.42) SMN1; SMN2HTTALDH1A1HPGDHSD17B10
SCHEMBL4373426 0.75 CNR1 (0.51) CNR1CNR2
SCHEMBL3916533 0.73 MDM2 (0.41) PTGER1CNR1CNR2
SCHEMBL3920234 0.73 CNR1 (0.55) PTGER1CNR1CNR2

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 PTGER1 60/4885SMN1; SMN2 3964/4885HTT 2874/4885

“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.