SCHEMBL3969909

SCHEMBL3969909

C=CC[C@H]1CCC[C@@H](O)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
PRSS1 P07477 2/20 0.30
CTRC Q99895 2/20 0.30
F2 P00734 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL3965582 1.00 SMN1; SMN2 (0.32) SMN1; SMN2TSHRNOS3NOS1NOS2
SCHEMBL3969911 1.00 SMN1; SMN2 (0.32) SMN1; SMN2TSHRNOS3NOS1NOS2
SCHEMBL8155788 0.96 TSHR (0.38) SMN1; SMN2TSHRNOS3NOS1NOS2
SCHEMBL178600 0.86
SCHEMBL7600229 0.86
SCHEMBL178605 0.86
Propionic Acid SCHEMBL4190579 0.86 NR1H4 (0.33) DPP4
SCHEMBL528454 0.84 NOS1 (0.36) NOS3NOS1NOS2PRSS1CTRC
SCHEMBL12166721 0.79 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL1080501 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599443-B1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-12-21 EP disclosed
EP-1601671-B1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
EP-1599452-B1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-06-20 EP disclosed
US-7173151-B2 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTISDEUTSCHAND GMBH (DE) 2007-02-06 US disclosed
US-7148246-B2 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-12-12 US disclosed
EP-1601671-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-12-07 EP disclosed
EP-1599443-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
EP-1599452-A1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-12 US disclosed
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
WO-2004076401-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed
WO-2004076447-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed
WO-2004076427-A1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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 (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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM SMN1; SMN2 1559/4885TSHR 808/4885NOS3 2647/4885
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FASN SMN1; SMN2 2679/4885TSHR 825/4885NOS3 3085/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A SMN1; SMN2 1912/4885TSHR 1018/4885NOS3 1777/4885
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals GPR119, CPT1A, PC SMN1; SMN2 3056/4885TSHR 1281/4885NOS3 1224/4885

“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.