SCHEMBL17135754

SCHEMBL17135754

c1cnc(N2CC3(CCC3)C2)nc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 16/20 0.69
ALDH1A1 P00352 13/20 0.69
HPGD P15428 7/20 0.69
CYP2D6 P10635 11/20 0.59
CYP1A2 P05177 9/20 0.59
CYP3A4 P08684 9/20 0.59
USP2 O75604 2/20 0.59
TSHR P16473 5/20 0.56
ALOX15 P16050 1/20 0.55
CYP2C9 P11712 5/20 0.52
CYP2C19 P33261 5/20 0.52
MAPK1 P28482 1/20 0.50

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
SCHEMBL29690797 0.77 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL14892841 0.77 ALDH1A1 (0.67) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL24435218 0.76 ALDH1A1 (0.73) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL30556699 0.76 HSD17B10 (0.44) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL23107927 0.75 ALDH1A1 (0.80) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL25696791 0.74 HSD17B10 (0.53) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL26684632 0.74 HSD17B10 (0.53) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL20064103 0.73 ALDH1A1 (0.52) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL26141085 0.73 HSD17B10 (0.41) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2
SCHEMBL30059839 0.72 HSD17B10 (0.54) HSD17B10ALDH1A1HPGDCYP2D6CYP1A2

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
EP-2888005-B1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME (US) 2019-04-03 EP disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 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-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 HSD17B10 321/4885ALDH1A1 1088/4885HPGD 655/4885

“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.