SCHEMBL4397975

SCHEMBL4397975

Cc1cc(OCCCC2CCNCC2)cc(C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.50
▸ ITGA2B P08514 18/20 0.50
▸ DHODH Q02127 1/20 0.43
▸ ITGAV P06756 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
Hydrochloric Acid SCHEMBL1295959 0.99 ITGB3 (0.49) ITGB3ITGA2BDHODHITGAVCHRM2
SCHEMBL12103493 0.84 ITGB3 (0.53) ITGB3ITGA2BDHODHITGAVCHRM2
Hydrochloric Acid SCHEMBL1296299 0.83 ITGB3 (0.52) ITGB3ITGA2BDHODHITGAVCHRM2
SCHEMBL10044105 0.82 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL1922551 0.82 GPR119 (0.44) —
SCHEMBL4400790 0.82 MAOA (0.40) —
SCHEMBL12106777 0.81 ITGB3 (0.41) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL13534659 0.81 ITGB3 (0.42) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL13534979 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL13535046 0.81 ITGB3 (0.41) ITGB3ITGA2BITGAVCHRM2SLC6A4

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 10 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-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
US-20110230507-A1 Piperidine GPCR Agonists PROSIDION LIMITED (GB) 2011-09-22 — — US disclosed
US-20110212939-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2011-09-01 — — US disclosed
CN-102131778-A Heterocyclic gpcr agonists PROSIDION LTD 2011-07-20 — — CN 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
WO-2010004344-A1 PIPERIDINE GPCR AGONISTS PROSIDION LIMITED (GB) 2010-01-14 — — WO disclosed
WO-2010004347-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-20110269734-A1 PIPERIDINYL GPCR AGONISTS GPR119, GPR27, GLP1R ITGB3 3442/4885ITGA2B 3353/4885DHODH 3868/4885
US-20110230507-A1 Piperidine GPCR Agonists GPR119, GPR27, GLP1R ITGB3 3495/4885ITGA2B 3176/4885DHODH 3770/4885
US-20110212939-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GPR27 ITGB3 2991/4885ITGA2B 2258/4885DHODH 2563/4885

“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.

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