SCHEMBL1616503

SCHEMBL1616503

ON=C(c1ccc(CN2CCOCC2)cc1)c1cccc2nc(N[C@@H]3CCc4ccccc43)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCHR1 Q99705 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
ACKR3 P25106 1/20 0.35
JAK1 P23458 1/20 0.35
GBA1 P04062 1/20 0.34

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
SCHEMBL1616502 1.00 HIF1A (0.36) HIF1AEPAS1ALDH1A1GAAKDM4E
SCHEMBL2923858 1.00 HIF1A (0.36) HIF1AEPAS1ALDH1A1GAAKDM4E
SCHEMBL1615570 0.89 HIF1A (0.41) HIF1AEPAS1ALDH1A1GAAKDM4E
SCHEMBL1616089 0.85 GBA1 (0.42) JAK1GBA1
SCHEMBL1616091 0.85 GBA1 (0.42) JAK1GBA1
SCHEMBL1615547 0.84 FADS1 (0.41) JAK1GBA1
SCHEMBL1615549 0.84 FADS1 (0.41) JAK1GBA1
SCHEMBL1616339 0.82 GBA1 (0.41) JAK1GBA1
SCHEMBL1616336 0.82 GBA1 (0.41) JAK1GBA1
SCHEMBL2900777 0.79 GBA1 (0.38) MCHR1JAK1GBA1

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 HIF1A 1280/4885EPAS1 1930/4885ALDH1A1 1619/4885

“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.