SCHEMBL15058495

SCHEMBL15058495

COC(=O)c1cc(Cl)ccc1-c1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NR4A2 P43354 2/20 0.46
CYP46A1 Q9Y6A2 1/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALPL P05186 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1421933 0.84 CYP46A1 (0.64) KDM4ENR4A2CYP46A1PKML3MBTL1
SCHEMBL1585974 0.83 HCRTR1 (0.49) SLC6A4SLC6A3CYP46A1PKML3MBTL1
SCHEMBL15058274 0.83 HSD17B10 (0.53) SLC6A3KDM4EALDH1A1NR4A2CYP46A1
SCHEMBL19229931 0.82 KCNMA1 (0.42) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1586163 0.80 SLC6A3 (0.54) SLC6A4SLC6A3KDM4EALDH1A1LMNA
SCHEMBL15057250 0.80 ALDH1A1 (0.53) KDM4EALDH1A1LMNAL3MBTL1MEN1
SCHEMBL15232496 0.80 HCRTR2 (0.43) ALDH1A1CYP46A1PKML3MBTL1KMT2A
SCHEMBL19207068 0.77 IDO1 (0.55) ABL1NR4A2ALPL
SCHEMBL6100118 0.76 ABL1 (0.70) ABL1SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL19207039 0.76 ABL1 (0.46) ABL1SLC6A4SLC6A3KDM4EALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
US-9493438-B2 4,4-difluoro-piperidine-compounds ROTTAPHARM S.R.L. (IT) 2016-11-15 US disclosed
US-9493438-B2 4,4-difluoro-piperidine-compounds ROTTAPHARM S.R.L. (IT) 2016-11-15 US disclosed
US-9493438-B2 4,4-difluoro-piperidine-compounds ROTTAPHARM S.R.L. (IT) 2016-11-15 US disclosed
EP-2820007-B1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS Rottapharm Biotech Srl (IT) 2016-04-20 EP disclosed
EP-2820007-B1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS Rottapharm Biotech Srl (IT) 2016-04-20 EP disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-9062033-B2 Chemical compounds ROTTAPHARM BIOTECH S.R.L. (IT) 2015-06-23 US disclosed
US-20150051226-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS ROTTAPHARM S.P.A. (IT) 2015-02-19 US disclosed
EP-2820007-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2015-01-07 EP disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
US-20140357653-A1 CHEMICAL COMPOUNDS ROTTAPHARM BIOTECH S.R.L. (IT) 2014-12-04 US disclosed
EP-2794593-A1 CHEMICAL COMPOUNDS Rottapharm Biotech S.r.l. (IT) 2014-10-29 EP disclosed
WO-2013127913-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS ROTTAPHARM S.P.A. (IT) 2013-09-06 WO disclosed
WO-2013127913-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS ROTTAPHARM S.P.A. (IT) 2013-09-06 WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 WO disclosed
WO-2013092893-A1 CHEMICAL COMPOUNDS ROTTAPHARM SPA (IT) 2013-06-27 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 (2 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-20150051226-A1 4,4-DIFLUORO-PIPERIDINE-COMPOUNDS SLCO4C1, PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ABL1 123/4885SLC6A4 230/4885SLC6A3 426/4885
US-20140357653-A1 CHEMICAL COMPOUNDS HCRTR2, HCRTR1, NPY1R ABL1 1526/4885SLC6A4 913/4885SLC6A3 199/4885

“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.