SCHEMBL12751036

SCHEMBL12751036

BC(=O)N1CCC(=C(c2ccccc2)c2cccc(CO)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.49
▸ FNTB P49356 1/20 0.49
▸ SETD7 Q8WTS6 1/20 0.43
▸ OPRD1 P41143 3/20 0.41
▸ OPRK1 P41145 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL12751049 0.85 FNTA (0.51) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL1473494 0.81 KDM4E (0.46) FNTAFNTBSETD7MEN1KMT2A
SCHEMBL12751042 0.77 SETD7 (0.46) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL14252825 0.77 SETD7 (0.47) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL12752306 0.75 FNTA (0.47) FNTAFNTBOPRD1LMNASMN1; SMN2
SCHEMBL12777874 0.72 FNTA (0.50) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL12752301 0.72 SETD7 (0.50) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL12752312 0.72 FNTA (0.46) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL12751838 0.71 FNTA (0.48) FNTAFNTBSETD7OPRD1OPRK1
SCHEMBL12751022 0.70 FNTA (0.40) FNTAFNTBSETD7OPRD1OPRK1

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 4 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

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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