SCHEMBL1120784

SCHEMBL1120784

CCOC(=O)c1[nH]c2cc(OCCN(Cc3ccccc3)C[C@H](O)c3cccc(N(Cc4ccccc4)S(C)(=O)=O)c3)ccc2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
NR1H3 Q13133 2/20 0.38
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
MAOB P27338 3/20 0.36
MDM2 Q00987 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 2/20 0.35
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL5193993 0.88 NR1H3 (0.37) NR1H3MAOBMAOAACHEALK
SCHEMBL7248052 0.87 NR1H3 (0.40) TSHRNR1H3ALDH1A1MAOBMAOA
SCHEMBL7244459 0.87 NR1H3 (0.40) TSHRNR1H3ALDH1A1MAOBMAOA
SCHEMBL7526000 0.87 NR1H3 (0.40) TSHRNR1H3ALDH1A1MAOBMAOA
SCHEMBL5194303 0.86 NR1H3 (0.38) NR1H3MAOBMAOAACHEALK
SCHEMBL1120896 0.85 GAA (0.42) NPSR1NR1H3ALDH1A1MAOBMAPT
SCHEMBL1120853 0.75 NPSR1 (0.36) NPSR1TSHRALDH1A1RAB9AHTT
SCHEMBL2239649 0.75 GRM2 (0.35) NPSR1NR1H3ALDH1A1MAOBMAPT
SCHEMBL2239656 0.75 GRM2 (0.35) NPSR1NR1H3ALDH1A1MAOBMAPT
SCHEMBL7250840 0.74 ATM (0.40) NR1H3MAOBACHEALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1447400-B1 BICYCLIC COMPOUND ASAHI KASEI PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 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 (3 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 NPSR1 117/4885TSHR 1405/4885NR1H3 287/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R NPSR1 23/4885TSHR 289/4885NR1H3 215/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 NPSR1 26/4885TSHR 271/4885NR1H3 117/4885

“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.