SCHEMBL6099121

SCHEMBL6099121

Nc1ccc2c(c1)C1(CCN(C(=O)OCc3ccccc3)CC1)CN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
CYP2C19 P33261 1/20 0.46
OPRK1 P41145 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRD1 P41143 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
ENPP2 Q13822 1/20 0.44
ATXN2 Q99700 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 2/20 0.43
GAA P10253 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL6099116 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL4979362 0.88 MEN1 (0.46) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL3728320 0.88 XIAP (0.51) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL4979370 0.88 MEN1 (0.46) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL15676882 0.88 HDAC1 (0.46) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL1196006 0.87 MEN1 (0.51) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL1196005 0.87 MEN1 (0.51) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
Hydrochloric Acid SCHEMBL8582025 0.86 MEN1 (0.50) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL4884804 0.85 GRIN2B (0.45) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A
SCHEMBL6099124 0.84 MEN1 (0.42) SMN1; SMN2CYP2C19OPRK1MEN1KMT2A

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 SMN1; SMN2 1046/4885CYP2C19 1219/4885OPRK1 1722/4885

“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.