SCHEMBL2991147

SCHEMBL2991147

CCOC(=O)C1(C(=O)OCC)CC2CN(S(=O)(=O)c3ccc(C)cc3)CC2C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL24337779 0.75 CYP2C19 (0.48) ALDH1A1KMT2ALMNASMN1; SMN2GAA
SCHEMBL29654797 0.75 CYP2C19 (0.48) ALDH1A1KMT2ALMNASMN1; SMN2GAA
SCHEMBL15471054 0.74 ALDH1A1 (0.69) ALDH1A1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL6520496 0.74 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL13934757 0.72 GAA (0.53) ALDH1A1KMT2ALMNATSHRKDM4E
SCHEMBL4527439 0.72 GAA (0.53) ALDH1A1KMT2ALMNATSHRKDM4E
SCHEMBL29657316 0.72 PKM (0.61) ALDH1A1KMT2ALMNATSHRKDM4E
SCHEMBL31629999 0.72 PKM (0.61) ALDH1A1KMT2ALMNATSHRKDM4E
SCHEMBL15471052 0.72 ALDH1A1 (0.65) ALDH1A1KMT2ALMNASMN1; SMN2GAA
SCHEMBL30471853 0.72 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAGAARAB9A

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-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 ALDH1A1 991/4885KMT2A 1990/4885LMNA 3117/4885

“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.