SCHEMBL12751049

SCHEMBL12751049

BC(=O)N1CCC(=C(c2ccccc2)c2cncc(CO)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.51
▸ FNTB P49356 2/20 0.51
▸ SETD7 Q8WTS6 1/20 0.40
▸ OPRD1 P41143 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PTAFR P25105 1/20 0.35

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
SCHEMBL12777874 0.87 FNTA (0.50) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL12751036 0.85 FNTA (0.49) FNTAFNTBSETD7OPRD1SMN1; SMN2
SCHEMBL14262776 0.83 SETD7 (0.61) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL1473049 0.83 FNTA (0.46) FNTAFNTB
SCHEMBL12751048 0.80 CYP2C9 (0.50) FNTAFNTBSETD7OPRD1HTT
SCHEMBL14252950 0.79 SETD7 (0.43) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL31350902 0.76 FNTA (0.49) FNTAFNTBSETD7HPGDHTT
SCHEMBL12751033 0.75 GAA (0.49) FNTAFNTBSMN1; SMN2PTAFR
SCHEMBL12751838 0.75 FNTA (0.48) FNTAFNTBSETD7OPRD1HPGD
SCHEMBL12751042 0.74 SETD7 (0.46) FNTAFNTBSETD7OPRD1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 — — US disclosed
US-7902204-B2 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 — — US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — US disclosed
US-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-05-29 — — US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 — — 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 (2 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-20080125439-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, EIF2AK2 FNTA 2786/4885FNTB 1834/4885SETD7 2513/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT FNTA 2583/4885FNTB 3319/4885SETD7 227/4885

“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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