SCHEMBL12752301

SCHEMBL12752301

BC(=O)N1CCC(=C(c2ccccc2)c2cnn(C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SETD7 Q8WTS6 1/20 0.50
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ OPRD1 P41143 7/20 0.43
▸ OPRK1 P41145 6/20 0.40
▸ OPRM1 P35372 5/20 0.40
▸ PTAFR P25105 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HTR3A P46098 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
SCHEMBL22773257 0.90 SETD7 (0.53) SETD7FNTAFNTBRAB9ASMN1; SMN2
SCHEMBL12752306 0.82 FNTA (0.47) FNTAFNTBSMN1; SMN2OPRD1LMNA
SCHEMBL1472918 0.82 GPR119 (0.48) SETD7FNTAFNTB
SCHEMBL14252952 0.78 SETD7 (0.51) SETD7FNTAFNTBRAB9ASMN1; SMN2
SCHEMBL12752312 0.77 FNTA (0.46) SETD7FNTAFNTBOPRD1OPRK1
SCHEMBL22773372 0.77 OPRD1 (0.49) SETD7FNTAFNTBRAB9ASMN1; SMN2
SCHEMBL12751042 0.75 SETD7 (0.46) SETD7FNTAFNTBSMN1; SMN2OPRD1
SCHEMBL12751033 0.73 GAA (0.49) FNTAFNTBSMN1; SMN2PTAFRCYP2D6
SCHEMBL12751838 0.73 FNTA (0.48) SETD7FNTAFNTBRAB9AOPRD1
SCHEMBL12751049 0.73 FNTA (0.51) SETD7FNTAFNTBSMN1; SMN2OPRD1

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 2 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 — — 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT SETD7 227/4885FNTA 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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