SCHEMBL6099129

SCHEMBL6099129

O=C(OCc1ccccc1)N1CCC2(CC1)CNc1ccc([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
OPRK1 P41145 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP2C19 P33261 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
PDE1C Q14123 1/20 0.40
HTR1A P08908 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
SCHEMBL6099124 1.00 MEN1 (0.42) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL6099116 0.84 SMN1; SMN2 (0.46) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL3728320 0.84 XIAP (0.51) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL6099121 0.84 SMN1; SMN2 (0.46) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL4979362 0.84 MEN1 (0.46) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL4979370 0.84 MEN1 (0.46) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL15676882 0.84 HDAC1 (0.46) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL1196005 0.83 MEN1 (0.51) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL1196006 0.83 MEN1 (0.51) MEN1KMT2ANPSR1SCN5ASCN9A
Hydrochloric Acid SCHEMBL8582025 0.82 MEN1 (0.50) MEN1KMT2ANPSR1SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063791-A1 (Spirocyclylamido)aminothiophene compounds OSI PHARMACEUTICALS, INC. 2006-03-23 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-20060063791-A1 (Spirocyclylamido)aminothiophene compounds KIT, BRDT, MALT1 MEN1 25/4885KMT2A 267/4885NPSR1 84/4885

“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.