SCHEMBL12445692

SCHEMBL12445692

C#CCOCCN(CCC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
HTR1B P28222 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
SCHEMBL24920165 0.85 MEN1 (0.37) MEN1ALDH1A1KMT2ATSHR
SCHEMBL9706139 0.83 HTR1B (0.40) MEN1KMT2ATSHRHTR1B
SCHEMBL19194672 0.83 TSHR (0.41) MEN1ALDH1A1KMT2ATSHR
SCHEMBL5322174 0.79 MEN1 (0.50) MEN1ALDH1A1KMT2ATSHR
SCHEMBL27361642 0.79 HTR1B (0.38) MEN1KMT2AHTR1B
SCHEMBL17159543 0.79 HTR1B (0.42) MEN1KMT2ATSHRHTR1B
SCHEMBL26951234 0.77 TSHR (0.33) MEN1ALDH1A1KMT2ATSHR
SCHEMBL9705221 0.77 DNM1 (0.39) MEN1KMT2ATSHR
SCHEMBL3426567 0.77
SCHEMBL11416101 0.74 HTR1B (0.40) MEN1ALDH1A1KMT2AHTR1B

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-8003632-B2 administerine tacrine, a tacrine analog, fasciculin, metrifonate, heptyl-physostigmine, norpyridostigmine, norneostigmine, huperzine A or an analogue, physostigmine, heptyl-physostigmine etc. free of galantamine to reduce the level of a proinflammatory cytokine THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2011-08-23 US disclosed
US-20080070901-A1 Cholineterase inhibitors for treating inflammation THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH 2008-03-20 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-20080070901-A1 Cholineterase inhibitors for treating inflammation ACHE, BCHE, CHAT MEN1 4185/4885ALDH1A1 867/4885KMT2A 2173/4885

“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.