SCHEMBL1725142

SCHEMBL1725142

O=C1CCc2cc(N3CCC3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HRH3 Q9Y5N1 3/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B1 P14061 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TERT O14746 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PRKCI P41743 1/20 0.44
GRM5 P41594 1/20 0.44
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CCR6 P51684 1/20 0.42

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
SCHEMBL1853918 0.96 HSD17B10 (0.52) HSD17B10CASP1CASP7HRH3ALDH1A1
SCHEMBL1862715 0.96 HSD17B10 (0.52) HSD17B10CASP1CASP7HRH3ALDH1A1
SCHEMBL30966019 0.87 MAOA (0.56) HSD17B10HRH3ALDH1A1HSD17B1MEN1
SCHEMBL8257474 0.86 ADRB1 (0.47) HSD17B10CASP1CASP7ALDH1A1MAPT
SCHEMBL1237844 0.86 PSMD14 (0.48) HSD17B10CASP1CASP7ALDH1A1MEN1
Hydrochloric Acid SCHEMBL11455190 0.86 MAOA (0.54) HSD17B10HRH3ALDH1A1HSD17B1MEN1
SCHEMBL1240432 0.80 MAPK14 (0.53) ALDH1A1HSD17B1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL11471464 0.79 MAPK14 (0.52) ALDH1A1HSD17B1MEN1MAPTKMT2A
SCHEMBL4134874 0.78 DRD3 (0.41) HSD17B10CASP1CASP7HRH3L3MBTL1
SCHEMBL17605181 0.78 AR (0.46) HSD17B10CASP1CASP7HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 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 (2 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN HSD17B10 4688/4885CASP1 1736/4885CASP7 2072/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN HSD17B10 4698/4885CASP1 1401/4885CASP7 1327/4885

“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.