SCHEMBL1144485

SCHEMBL1144485

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4500362 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL596961 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL22103542 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL25602753 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL7763250 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL31621964 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL6256125 1.00 CHRM2 (0.46) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL596960 0.98 CHRM2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29424947 0.98 CHRM2 (0.44) CHRM2CHRM4CHRM3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL596962 0.98 CHRM2 (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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815847-B2 [1,2,4]thiadiazine 1,1-dioxide compounds for lowering serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8815847-B2 [1,2,4]thiadiazine 1,1-dioxide compounds for lowering serum uric acid ANADYS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
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-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-8030489-B2 Ornithine derivative ASTELLAS PHARMA INC. (JP) 2011-10-04 US disclosed
US-7893296-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-22 US disclosed
US-20100216803-A1 ORNITHINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-08-26 US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES ANADYS PHARMACEUTICALS, INC. (US) 2008-11-27 US 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
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 US disclosed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US disclosed
EP-1299379-A2 LACTAM METALLOPROTEASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-04-09 EP disclosed
US-20020042398-A1 Novel lactam metalloprotease inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-11 US disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 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 (6 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-20100216803-A1 ORNITHINE DERIVATIVE PTGER4, OXER1, ODC1 CHRM2 392/4885CHRM4 267/4885CHRM3 602/4885
US-20080292588-A1 1-METHYL-BENZO[1,2,4]THIADIAZINE 1-OXIDE DERIVATIVES CYP1B1, CYP2E1, DAZAP1 CHRM2 3100/4885CHRM4 2550/4885CHRM3 2542/4885
US-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP CHRM2 4881/4885CHRM4 4874/4885CHRM3 4860/4885
US-20020042398-A1 Novel lactam metalloprotease inhibitors ADAM9, ADAM8, ADAM17 CHRM2 4065/4885CHRM4 4558/4885CHRM3 4387/4885
US-20050113442-A1 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives APP, PSEN1, PSEN2 CHRM2 1452/4885CHRM4 1694/4885CHRM3 1943/4885
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID THOP1, XDH, DUOX1 CHRM2 2808/4885CHRM4 4333/4885CHRM3 4009/4885

“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.