SCHEMBL12851963

SCHEMBL12851963

CC(C)(C)C1COc2ccccc2N1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
NPSR1 Q6W5P4 3/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL10222509 0.81 SMN1; SMN2 (0.50) MEN1KMT2ASMN1; SMN2LMNACRHBP
SCHEMBL23031978 0.75 CHRNB4 (0.40) MEN1KMT2ASMN1; SMN2LMNACRHBP
SCHEMBL12339882 0.71 NPSR1 (0.47) MEN1KMT2ASMN1; SMN2LMNACRHBP
SCHEMBL10204116 0.70 NOTUM (0.38) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL23872825 0.70 NOTUM (0.38) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL406192 0.70 MEN1 (0.44) MEN1KMT2ASMN1; SMN2LMNACRHBP
SCHEMBL16726437 0.69 TSHR (0.33) SMN1; SMN2L3MBTL1ALDH1A1CHRNB4CHRNA3
SCHEMBL16726511 0.69 TSHR (0.33) SMN1; SMN2L3MBTL1ALDH1A1CHRNB4CHRNA3
SCHEMBL14228456 0.69 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNACRHBP
SCHEMBL10204114 0.68 MEN1 (0.40) MEN1KMT2ASMN1; SMN2GAAL3MBTL1

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-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN MEN1 346/4885KMT2A 1611/4885SMN1; SMN2 2529/4885

“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.