SCHEMBL3209613

SCHEMBL3209613

COC(=O)[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
EPHX1 P07099 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36

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
SCHEMBL4734308 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL6079072 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL6252899 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL3209615 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4483433 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL18603363 0.98 SLC6A2 (0.41) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL334961 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4479086 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL335654 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4479090 0.98 SLC6A2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 US disclosed
WO-2008073982-A2 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
WO-2007039079-A1 PROCESS FOR THE SYNTHESIS OF BETA AMINO ACIDS NOVARTIS AG (CH) 2007-04-12 WO disclosed
US-7084178-B2 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 US disclosed
WO-2005054180-A1 ANTIAMYLOID PHENYLSULFONAMIDES: N-CYCLOALKYLCARBOXAMIDES DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed
US-20050113442-A1 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives BRISTOL-MYERS SQUIBB COMPANY 2005-05-26 US 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 (4 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-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS CHRM2 2998/4885CHRM4 2402/4885CHRM3 1964/4885
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP CHRM2 4881/4885CHRM4 4874/4885CHRM3 4860/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP CHRM2 4881/4885CHRM4 4874/4885CHRM3 4860/4885
US-20050113442-A1 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives APP, PSEN1, PSEN2 CHRM2 1452/4885CHRM4 1694/4885CHRM3 1943/4885

“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.