SCHEMBL6328484

SCHEMBL6328484

CC(C)(C)c1ccc2c(c1)[CH]CCN2CC#N

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5714161 0.81 ESR1 (0.30)
SCHEMBL5713797 0.80 ALDH1A1 (0.33) LMNAALDH1A1TSHRKMT2AHRH3
SCHEMBL5714333 0.75 NR1H3 (0.36) ALDH1A1KMT2AHRH3KDM4ESMN1; SMN2
SCHEMBL6328486 0.74 ALDH1A1 (0.33) LMNAALDH1A1TSHRKMT2AKDM4E
SCHEMBL5713665 0.70 NOTUM (0.46) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16473875 0.64 TRPV1 (0.44) ALDH1A1KMT2AHRH3TRPV1
SCHEMBL17083369 0.62 SMN1; SMN2 (0.54) LMNAALDH1A1TSHRKMT2AKDM4E
SCHEMBL19154878 0.62 TRPV1 (0.45) ALDH1A1KMT2AHRH3TRPV1
SCHEMBL9164445 0.61 ALDH1A1 (0.38) LMNAALDH1A1TSHRKMT2AHRH3
SCHEMBL24123617 0.61 MAPT (0.45) LMNAALDH1A1TSHRKMT2AHRH3

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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 LMNA 294/4885ALDH1A1 2677/4885TSHR 4811/4885

“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.