SCHEMBL1616465

SCHEMBL1616465

Fc1ccc(COc2cccc3nc(N[C@@H]4CCc5ccccc54)ccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
EGFR P00533 1/20 0.42
PFKFB3 Q16875 3/20 0.41
GBA1 P04062 1/20 0.41
MAPK14 Q16539 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
STAT3 P40763 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
P2RX7 Q99572 3/20 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
SCHEMBL1615467 0.86 GBA1 (0.49) MAOAMAOBHTR1AEGFRPFKFB3
SCHEMBL1615470 0.86 GBA1 (0.49) MAOAMAOBHTR1AEGFRPFKFB3
SCHEMBL1615592 0.85 PFKFB3 (0.42) HTR1ASLC6A2SLC6A4SLC6A3EGFR
SCHEMBL1616738 0.84 EGFR (0.47) MAOAMAOBHTR1AEGFRPFKFB3
SCHEMBL1616740 0.84 EGFR (0.47) MAOAMAOBHTR1AEGFRPFKFB3
SCHEMBL1616566 0.82 PFKFB3 (0.41) PFKFB3GBA1MAPK14LMNAALDH1A1
SCHEMBL2243055 0.82 NCF1 (0.49) MAOBEGFRPFKFB3GBA1P2RX7
SCHEMBL2243064 0.82 NCF1 (0.49) MAOBEGFRPFKFB3GBA1P2RX7
SCHEMBL3407214 0.82 PFKFB3 (0.42) MAOAMAOBHTR1ASLC6A2SLC6A4
SCHEMBL2241645 0.81 PFKFB3 (0.54) EGFRPFKFB3GBA1MEN1KMT2A

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 7 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
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US 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 MAOA 188/4885MAOB 131/4885HTR1A 4/4885

“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.