SCHEMBL890101

SCHEMBL890101

Cc1cnc(N2CCN(C(C)C)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 11/20 0.55
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TLR4 O00206 1/20 0.41
TLR8 Q9NR97 1/20 0.41
DHFR P00374 1/20 0.41
ACHE P22303 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
GPR119 Q8TDV5 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
SCHEMBL83122 0.93 OGA (0.50) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL19251110 0.85 OGA (0.52) OGADHFRGPR119
SCHEMBL1743222 0.83 PANK3 (0.47) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL889353 0.83 OGA (0.45) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL17897245 0.83 OGA (0.56) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL1126338 0.83 OGA (0.53) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL21419379 0.80 OGA (0.46) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL18334115 0.80 OGA (0.58) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL20443215 0.80 OGA (0.58) OGAPTPN11KDM4EALDH1A1MAPT
SCHEMBL5962506 0.80 OGA (0.54) OGAKDM4EALDH1A1MAPTACHE

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-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (5 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 OGA 2613/4885PTPN11 1868/4885KDM4E 1193/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 OGA 3855/4885PTPN11 3398/4885KDM4E 553/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 OGA 1010/4885PTPN11 1872/4885KDM4E 1321/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 OGA 2811/4885PTPN11 1840/4885KDM4E 1139/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 OGA 1006/4885PTPN11 1864/4885KDM4E 1318/4885

“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.