SCHEMBL11891182

SCHEMBL11891182

CCCCN(CCCC)Cc1ccc2nc(Cc3cccc(OC)c3)n(CCCN3CCCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 4/20 0.52
▸ MC5R P33032 2/20 0.45
▸ MC3R P41968 2/20 0.45
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ F2R P25116 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ BCHE P06276 3/20 0.42
▸ ACHE P22303 3/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ MC1R Q01726 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ROCK2 O75116 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
SCHEMBL11891183 0.92 MC4R (0.61) MC4RMC5RMC3RBCHEACHE
SCHEMBL11891168 0.90 MC4R (0.63) MC4RMC5RMC3RUSP2TSHR
SCHEMBL11891178 0.84 MC4R (0.70) MC4RMC5RMC3RBCHEACHE
SCHEMBL13124569 0.84 MC4R (0.51) MC4RMC5RMC3RUSP2TSHR
SCHEMBL11891180 0.82 MC4R (0.45) MC4RMC5RMC3RUSP2TSHR
SCHEMBL11891170 0.82 MC4R (0.73) MC4RMC5RMC3RBCHEACHE
SCHEMBL13124566 0.79 MC4R (0.60) MC4RMC5RMC3RMC1R
SCHEMBL11891184 0.79 MC4R (0.47) MC4RMC5RMC3RBCHEACHE
SCHEMBL11891128 0.77 MC4R (0.84) MC4RMC5RMC3RMC1R
SCHEMBL11891158 0.76 MC4R (0.59) MC4RMC5RMC3RMC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2012-12-13 — — US disclosed
US-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2012-12-13 — — US disclosed
US-8227485-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2012-07-24 — — US disclosed
US-8227485-B2 Benzimidazole and imidazopyridine derivatives and use thereof as a medicament IPSEN PHARMA S.A.S. (FR) 2012-07-24 — — US disclosed
EP-1692114-B1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT IPSEN PHARMA (FR) 2010-09-22 — — EP 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-20120316201-A1 NOVEL BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AND USE THEREOF AS A MEDICAMENT MC4R, MC5R, MC1R MC4R 1/4885MC5R 2/4885MC3R 4/4885

“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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