SCHEMBL6328486

SCHEMBL6328486

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TRPV1 Q8NER1 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
SCHEMBL5714165 0.81 ESR1 (0.30)
SCHEMBL5714336 0.77 KDM4E (0.33) ALDH1A1KMT2AKDM4ESMN1; SMN2TRPV1
SCHEMBL6328484 0.74 LMNA (0.33) ALDH1A1LMNATSHRKMT2AKDM4E
SCHEMBL5713671 0.71 NOTUM (0.45) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16473875 0.64 TRPV1 (0.44) ALDH1A1KMT2ATRPV1
SCHEMBL19154878 0.62 TRPV1 (0.45) ALDH1A1KMT2ATRPV1
SCHEMBL24123617 0.61 MAPT (0.45) ALDH1A1LMNATSHRKMT2AKDM4E
SCHEMBL17708030 0.60 XDH (0.44) ALDH1A1LMNATSHRKDM4ESMN1; SMN2
SCHEMBL1450324 0.60 ALDH1A1 (0.36) ALDH1A1LMNATSHRKMT2A
SCHEMBL5713764 0.60 HTR1D (0.34) ALDH1A1KMT2ATRPV1

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 ALDH1A1 2677/4885LMNA 294/4885TSHR 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.