SCHEMBL12751022

SCHEMBL12751022

BC(=O)N1CCC(=C(Br)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SETD7 Q8WTS6 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.38
▸ OPRD1 P41143 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BLM P54132 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
SCHEMBL13272029 0.85 HPGD (0.41) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12777868 0.82 SETD7 (0.41) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12751039 0.80 FNTA (0.40) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12751836 0.78 ALDH1A1 (0.39) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12751843 0.78 SETD7 (0.40) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12751846 0.77 PTPN1 (0.39) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL1473518 0.76 KDM4E (0.51) MEN1KMT2A
SCHEMBL14262771 0.75 SETD7 (0.67) SETD7OPRD1MEN1KMT2A
SCHEMBL14252829 0.74 FNTA (0.36) FNTAFNTBHPGDSETD7SIGMAR1
SCHEMBL12751042 0.73 SETD7 (0.46) FNTAFNTBHPGDSETD7OPRD1

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 1834/4885HPGD 3933/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT FNTA 2583/4885FNTB 3319/4885HPGD 1531/4885

“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.

Send feedback