SCHEMBL3245800

SCHEMBL3245800

COc1ccc2c(c1)CCN(Cc1cc(O)no1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.47
KDM4E B2RXH2 1/20 0.47
PRMT5 O14744 2/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD4 P21917 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CA9 Q16790 2/20 0.46
ABCC1 P33527 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
ASIC3 Q9UHC3 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
SCHEMBL3245030 0.81 PKM (0.52) KDM4EPRMT5HTR1ADRD4DRD3
SCHEMBL29651184 0.75 DRD1 (0.59) ABCB1KDM4EPRMT5CHRM2HTR1A
SCHEMBL915006 0.75 DRD1 (0.59) ABCB1KDM4EPRMT5CHRM2HTR1A
SCHEMBL17676647 0.74 ABCB1 (0.62) ABCB1KDM4ECHRM2HTR1ACHRM3
SCHEMBL6369681 0.74 HRH3 (0.61) KDM4EPRMT5CHRM2HTR1ACHRM3
SCHEMBL26879952 0.73 ABCB1 (0.63) ABCB1KDM4ECHRM2HTR1ACHRM3
SCHEMBL3061384 0.72 CA9 (0.70) ABCB1KDM4EPRMT5CHRM2HTR1A
SCHEMBL3156807 0.72 ABCB1 (0.62) ABCB1KDM4ECHRM2HTR1ACHRM3
SCHEMBL3246821 0.72 DRD1 (0.58) ABCB1PRMT5DRD4DRD3SLC6A3
Hydrochloric Acid SCHEMBL5609445 0.72 DRD1 (0.55) ABCB1KDM4EPRMT5CHRM2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
US-7786174-B2 Methods and compounds for inhibiting amyloid deposits BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-08-31 US disclosed
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP disclosed
US-20080227767-A1 Administering a compound that inhibits islet amyloid polypeptide-associated amyloid deposition, e.g., 8-hydroxy-5-quinolinesulfonic acid, sodium cyclohexylsulfamate, or octahydroisoquinolinyl-N-propanesulfonic acid; antidiabetic agents NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-09-18 US disclosed
US-7393875-B2 Reducing islet amyloid polypeptide (IAPP) associated deposit; type II diabetes NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-07-01 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-20080227767-A1 Administering a compound that inhibits islet amyloid polypeptide-associated amyloid deposition, e.g., 8-hydroxy-5-quinolinesulfonic acid, sodium cyclohexylsulfamate, or octahydroisoquinolinyl-N-propanesulfonic acid; antidiabetic agents IAPP, APP, AMY2A ABCB1 1672/4885KDM4E 3774/4885PRMT5 3798/4885

“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.