SCHEMBL1616633

SCHEMBL1616633

c1ccc2c(c1)CCC2Nc1ccc2c(-c3cccc4[nH]ccc34)cccc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
GBA1 P04062 1/20 0.40
PFKFB3 Q16875 2/20 0.39
FADS1 O60427 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
IDH2 P48735 1/20 0.37
PARP1 P09874 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CDK1 P06493 1/20 0.36
PDPK1 O15530 1/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL1616631 1.00 HDAC6 (0.43) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616399 0.89 HDAC6 (0.43) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616249 0.83 GBA1 (0.50) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616241 0.83 GBA1 (0.50) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616104 0.83 HDAC6 (0.38) HDAC6KCNN3GBA1FADS1DDB1
SCHEMBL1616394 0.83 PFKFB3 (0.46) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616160 0.83 PFKFB3 (0.46) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616397 0.83 PFKFB3 (0.46) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616343 0.80 GBA1 (0.46) HDAC6KCNN3GBA1PFKFB3FADS1
SCHEMBL1616344 0.80 GBA1 (0.46) HDAC6KCNN3GBA1PFKFB3FADS1

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
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C HDAC6 852/4885KCNN3 1670/4885GBA1 662/4885

“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.