SCHEMBL12751033

SCHEMBL12751033

BC(=O)N1CCC(=C(c2ccccc2)c2cnccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ FNTA P49354 2/20 0.48
▸ FNTB P49356 2/20 0.48
▸ PTAFR P25105 1/20 0.47
▸ POLB P06746 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ RORC P51449 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 5/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ USP2 O75604 2/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TBXA2R P21731 2/20 0.40
▸ TBXAS1 P24557 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL15494306 0.82 RORC (0.43) GAAFNTAFNTBPTAFRPOLB
SCHEMBL1472697 0.82 GPR119 (0.47) GAAFNTAFNTBPTAFRPOLB
SCHEMBL14252821 0.78 SETD7 (0.42) GAAFNTAFNTBPTAFRPOLB
SCHEMBL12751010 0.76 OPRD1 (0.48) GAAFNTAFNTBPOLBALOX15
SCHEMBL12751851 0.76 GRM5 (0.44) GAAFNTAFNTBPTAFRMEN1
SCHEMBL12751838 0.75 FNTA (0.48) FNTAFNTBPTAFRALDH1A1
SCHEMBL12751031 0.75 FNTA (0.45) FNTAFNTBPTAFRALDH1A1SMN1; SMN2
SCHEMBL12751049 0.75 FNTA (0.51) FNTAFNTBPTAFRSMN1; SMN2
SCHEMBL13272027 0.74 PTAFR (0.64) FNTAFNTBPTAFRMEN1KMT2A
SCHEMBL12752312 0.73 FNTA (0.46) FNTAFNTBPTAFRMEN1KMT2A

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 GAA 1054/4885FNTA 2786/4885FNTB 1834/4885
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT GAA 1735/4885FNTA 2583/4885FNTB 3319/4885

“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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