SCHEMBL12106786

SCHEMBL12106786

Cc1cc(OCCCC2CCNCC2)ccc1C(=O)N[C@H](C)CO

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.47
▸ ITGA2B P08514 18/20 0.47
▸ ITGAV P06756 2/20 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
SCHEMBL12160456 1.00 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL12106892 0.91 ITGB3 (0.48) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL12160457 0.89 GPR119 (0.47) ITGB3ITGA2B
SCHEMBL12160406 0.89 GPR119 (0.47) ITGB3ITGA2B
SCHEMBL12160423 0.89 GPR119 (0.47) ITGB3ITGA2B
SCHEMBL13534979 0.87 ITGB3 (0.45) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL12160488 0.86 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL1841876 0.85 GPR119 (0.42) —
SCHEMBL12160436 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL12160383 0.85 ACACB (0.35) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269734-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2011-11-03 — — US disclosed
EP-2383270-A1 Piperidine GPCR agonists Prosidion Limited (GB) 2011-11-02 — — EP 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 (1 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 3353/4885ITGAV 3335/4885

“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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