SCHEMBL6545646

SCHEMBL6545646

CCN1CCOC(CC(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 3/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.35
DRD4 P21917 6/20 0.35
PDK1 Q15118 3/20 0.33
DRD2 P14416 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32

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
SCHEMBL12313691 0.85 CCR2 (0.40) CCR2KCNH2HRH3DRD3KDM4E
SCHEMBL12313698 0.83 CCR2 (0.42) CCR2KCNH2HRH3DRD3KDM4E
SCHEMBL18531912 0.83 CCR2 (0.40) CCR2KCNH2HRH3CYP1A2CYP2D6
SCHEMBL12413985 0.82 ALDH1A1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19DRD3
SCHEMBL4192102 0.81 ALDH1A1 (0.39) CYP1A2CYP2D6CYP2C9CYP2C19DRD3
SCHEMBL12313383 0.81 KDM4E (0.41) CCR2KCNH2HRH3CYP2C19DRD3
SCHEMBL20179875 0.80 CCR2 (0.38) CCR2KCNH2HRH3CYP1A2CYP2D6
SCHEMBL23276967 0.79 CYP1A2 (0.41) HRH3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4550200 0.79 CYP1A2 (0.41) HRH3CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL24530509 0.79 CCR2 (0.39) CCR2KCNH2HRH3DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921515-B2 Methods and compositions of preparation for proteome analysis CASE WESTERN RESERVE UNIVERSITY (US) 2014-12-30 US disclosed
US-20130172539-A1 METHODS AND COMPOSITIONS OF PREPARATION FOR PROTEOME ANALYSIS CASE WESTERN RESERVE UNIVERSITY (US) 2013-07-04 US disclosed
US-20130053371-A1 INHIBITORS OF PI3 KINASE CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2013-02-28 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-0816381-B1 POLYETHYLENE GLYCOL MODIFIED HEPATOCYTE GROWTH FACTOR (HGF) NAKAMURA TOSHIKAZU (JP) 2004-01-14 EP disclosed
US-6380356-B1 DIMERS WITH GIVEN LINKING GROUPS; USE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS ADVANCED MEDICINE, INC. 2002-04-30 US disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
EP-0473084-A2 Polyethylene glycol derivatives, their modified peptides, methods for producing them and use of the modified peptides SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-04 EP disclosed
US-5093531-A POLYETHYLENE GLYCOL SUBSTITUTED PHENYL GLYOXALS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-03 US disclosed
EP-0458903-A1 SOLUBLE ANALOGS OF THROMBOMODULIN CODON (US) 1991-12-04 EP disclosed
EP-0400486-A2 Polyethylene glycol derivatives, modified peptides and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-12-05 EP disclosed
WO-1990010081-A1 SOLUBLE ANALOGS OF THROMBOMODULIN CODON (US) 1990-09-07 WO disclosed
US-4913812-A GLYCIDYL VINYL(ETHER OR ESTER)COPOLYMER BONDED TO LIGAND SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-04-03 US disclosed
EP-0340741-A2 Polyethylene glycol derivatives, modified peptides and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-11-08 EP disclosed
EP-0333587-A2 Method for purifying and isolating carboxyl-terminal peptides MITSUBISHI KASEI CORPORATION (JP) 1989-09-20 EP disclosed
US-4315074-A RESIN PEPTIDES FOR SYNTHESIZING POLYPEPTIDES PIERCE CHEMICAL COMPANY (US) 1982-02-09 US disclosed
US-4182654-A SOLID PHASE SYNTHESIS PIERCE CHEMICAL COMPANY (US) 1980-01-08 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 (3 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-20130053371-A1 INHIBITORS OF PI3 KINASE PIK3CA, MTOR, PIK3C2A CCR2 4413/4885KCNH2 4269/4885HRH3 2045/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B CCR2 2976/4885KCNH2 4559/4885HRH3 3131/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 CCR2 3048/4885KCNH2 4852/4885HRH3 2871/4885

“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.