SCHEMBL6613358

SCHEMBL6613358

Nc1c(C(=O)NC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ CNR2 P34972 4/20 0.47
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ MDM2 Q00987 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
Hydrochloric Acid SCHEMBL6614542 0.99 CNR1 (0.47) CNR1CHEK1CNR2NPC1RAB9A
SCHEMBL6817225 0.82 HSD11B1 (0.42) CNR1MDM2HPGD
SCHEMBL6817228 0.77 CNR1 (0.50) CNR1CNR2NPC1RAB9AL3MBTL1
SCHEMBL6601518 0.75 CNR1 (0.53) CNR1CNR2
SCHEMBL3455501 0.70 RAB9A (0.72) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8210765 0.70 RAB9A (0.72) NPC1RAB9AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6614304 0.69 CNR1 (0.55) CNR1CNR2
SCHEMBL16043466 0.69 RAB9A (0.69) NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22720173 0.69 RAB9A (0.57) CHEK1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6698259 0.67 CNR1 (0.77) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity BAYER PHARMACEUTICALS CORPORATION 2004-12-30 — — US disclosed
EP-1432679-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 — — EP disclosed
WO-2003027069-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 — — 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 (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-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity PGC, GIPR, GPR119 CNR1 118/4885CHEK1 4665/4885CNR2 190/4885

“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.

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