SCHEMBL8435320

SCHEMBL8435320

CN1CCCC(N2CCCCCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 4/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL8435783 1.00 ALDH1A1 (0.38) ALDH1A1HTR6LMNASIGMAR1HTR2B
SCHEMBL13356 1.00 ALDH1A1 (0.38) ALDH1A1HTR6LMNASIGMAR1HTR2B
SCHEMBL18379098 0.98 ALDH1A1 (0.39) ALDH1A1HTR6LMNASIGMAR1HTR2B
SCHEMBL6639099 0.98 ALDH1A1 (0.39) ALDH1A1HTR6LMNASIGMAR1HTR2B
SCHEMBL18379019 0.98 ALDH1A1 (0.39) ALDH1A1HTR6LMNASIGMAR1HTR2B
Hydrochloric Acid SCHEMBL27926198 0.95 ALDH1A1 (0.42) ALDH1A1HTR6LMNASIGMAR1HTR2B
SCHEMBL18878192 0.93 ALDH1A1 (0.39) ALDH1A1HTR6LMNASIGMAR1HTR2B
SCHEMBL19337146 0.93 ALDH1A1 (0.39) ALDH1A1HTR6LMNASIGMAR1HTR2B
SCHEMBL13330130 0.91 HTR6 (0.42) HTR6LMNASIGMAR1
SCHEMBL21303874 0.89 SIGMAR1 (0.41) ALDH1A1HTR6LMNASIGMAR1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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 (2 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP ALDH1A1 4012/4885HTR6 3207/4885LMNA 1178/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP ALDH1A1 2742/4885HTR6 3253/4885LMNA 1578/4885

“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.