SCHEMBL1615549

SCHEMBL1615549

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.41
GBA1 P04062 2/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PFKFB3 Q16875 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
P2RX7 Q99572 2/20 0.34
PARP1 P09874 2/20 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
SCHEMBL1615547 1.00 FADS1 (0.41) FADS1GBA1AURKARPS6KB1TAS1R3
SCHEMBL1616091 0.93 GBA1 (0.42) FADS1GBA1AURKARPS6KB1TAS1R3
SCHEMBL1616089 0.93 GBA1 (0.42) FADS1GBA1AURKARPS6KB1TAS1R3
SCHEMBL1616339 0.91 GBA1 (0.41) FADS1GBA1AURKARPS6KB1PFKFB3
SCHEMBL1616336 0.91 GBA1 (0.41) FADS1GBA1AURKARPS6KB1PFKFB3
SCHEMBL2900774 0.89 GBA1 (0.38) FADS1GBA1AURKARPS6KB1PFKFB3
SCHEMBL2900777 0.89 GBA1 (0.38) FADS1GBA1AURKARPS6KB1PFKFB3
SCHEMBL1615313 0.87 TAS1R3 (0.43) FADS1GBA1AURKARPS6KB1TAS1R3
SCHEMBL1616303 0.86 PFKFB3 (0.39) FADS1GBA1AURKARPS6KB1TAS1R3
SCHEMBL1616304 0.86 PFKFB3 (0.39) FADS1GBA1AURKARPS6KB1TAS1R3

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 FADS1 2528/4885GBA1 662/4885AURKA 4689/4885

“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.