SCHEMBL1295258

SCHEMBL1295258

COC(=O)c1ccc(OCCCC2CCNCC2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.48
ITGA2B P08514 16/20 0.48
CHEK1 O14757 1/20 0.43
CHEK2 O96017 1/20 0.43
ITGAV P06756 1/20 0.43
CHRM2 P08172 1/20 0.43
SLC6A4 P31645 1/20 0.43
DHODH Q02127 1/20 0.42

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
SCHEMBL12103493 0.88 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL12160436 0.87 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL2568966 0.87 ITGB3 (0.47) ITGB3ITGA2BCHEK1CHEK2
Hydrochloric Acid SCHEMBL1296299 0.87 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL12106765 0.87 ITGB3 (0.49) ITGB3ITGA2BCHEK2ITGAVCHRM2
SCHEMBL25547191 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL22310562 0.84 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL12106843 0.84 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL1839393 0.83 GPR119 (0.46)
Hydrochloric Acid SCHEMBL1295876 0.83 ITGB3 (0.43) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321308-B9 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-08-08 EP disclosed
EP-2321308-B9 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-08-08 EP disclosed
EP-2321308-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-05-09 EP disclosed
EP-2321308-B1 PIPERIDINE GPCR AGONISTS PROSIDION LTD (GB) 2012-05-09 EP disclosed
US-20110269734-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2011-11-03 US disclosed
WO-2011128394-A1 3-SUBSTITUTED 5-(PYRROLIDINE-1-CARBONYL) PYRROLIDINE AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2011-10-20 WO disclosed
WO-2011128394-A1 3-SUBSTITUTED 5-(PYRROLIDINE-1-CARBONYL) PYRROLIDINE AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2011-10-20 WO disclosed
US-20110230507-A1 Piperidine GPCR Agonists PROSIDION LIMITED (GB) 2011-09-22 US disclosed
US-20110178054-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-07-21 US disclosed
CN-102089301-A Piperidine gpcr agonists PROSIDION LTD 2011-06-08 CN disclosed
CN-102083813-A Piperidinyl gpcr agonists PROSIDION LTD 2011-06-01 CN disclosed
EP-2321308-A1 PIPERIDINE GPCR AGONISTS Prosidion Limited (GB) 2011-05-18 EP disclosed
EP-2321297-A1 PIPERIDINYL GPCR AGONISTS Prosidion Limited (GB) 2011-05-18 EP disclosed
WO-2010004343-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 WO disclosed
WO-2010004343-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 WO disclosed
WO-2010004344-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 WO disclosed
WO-2010004344-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 WO disclosed
WO-2010004348-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 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 (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-20110178054-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GPR27 ITGB3 3139/4885ITGA2B 2241/4885CHEK1 4112/4885
US-20110269734-A1 PIPERIDINYL GPCR AGONISTS GPR119, GPR27, GLP1R ITGB3 3442/4885ITGA2B 3353/4885CHEK1 4157/4885
US-20110230507-A1 Piperidine GPCR Agonists GPR119, GPR27, GLP1R ITGB3 3495/4885ITGA2B 3176/4885CHEK1 3969/4885

“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.