SCHEMBL1615313

SCHEMBL1615313

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 2/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
FADS1 O60427 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
GBA1 P04062 1/20 0.41
PARP1 P09874 2/20 0.39
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.39
CXCR2 P25025 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR4A1 P22736 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1616499 0.93 AURKA (0.46) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL2917052 0.93 AURKA (0.46) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL1616580 0.90 AURKA (0.43) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL1615549 0.87 FADS1 (0.41) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL1615547 0.87 FADS1 (0.41) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL1616270 0.85 AURKA (0.42) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL1615234 0.85 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL1615570 0.84 HIF1A (0.41) JAK1LMNANPC1RAB9A
SCHEMBL2244198 0.83 AURKA (0.46) TAS1R3TAS1R1TAS1R2AURKARPS6KB1
SCHEMBL1616446 0.82 AURKA (0.42) TAS1R3TAS1R1TAS1R2AURKARPS6KB1

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 TAS1R3 125/4885TAS1R1 95/4885TAS1R2 85/4885

“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.