SCHEMBL1295825

SCHEMBL1295825

CCOC(=O)c1ccc(OCCCC2CCNCC2)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 1/20 0.43
▸ ITGB3 P05106 12/20 0.40
▸ ITGA2B P08514 12/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ AVPR2 P30518 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL4400842 0.86 NNMT (0.49) ITGB3ITGA2BAVPR2AVPR1A
Hydrochloric Acid SCHEMBL1295961 0.86 DHODH (0.44) ITGB3ITGA2BAVPR2AVPR1AITGAV
SCHEMBL1296046 0.81 GPR119 (0.52) KDM4E
Hydrochloric Acid SCHEMBL1296024 0.79 ITGB3 (0.41) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL1295102 0.79 GPR119 (0.47) GABRA5CHRM2MAOABCHEACHE
SCHEMBL1295860 0.78 ITGB3 (0.38) ITGB3ITGA2BNPC1RAB9AITGAV
SCHEMBL1295857 0.78 ITGB3 (0.38) ITGB3ITGA2BNPC1RAB9AITGAV
SCHEMBL4400810 0.78 AVPR2 (0.41) ITGB3ITGA2BAVPR2AVPR1AITGAV
SCHEMBL4403130 0.77 GABRA5 (0.48) GABRA5ITGB3ITGA2BRAB9APLAT
SCHEMBL12103678 0.76 ITGB3 (0.42) ITGB3ITGA2BAVPR2AVPR1AITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269734-A1 PIPERIDINYL GPCR AGONISTS PROSIDION LIMITED (GB) 2011-11-03 — — 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 (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 GABRA5 245/4885ITGB3 3442/4885ITGA2B 3353/4885

“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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