SCHEMBL19964337

SCHEMBL19964337

CC(C)(CN1CCNCC1)CN1CCN(C(C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCR4 P61073 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 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
SCHEMBL20314540 0.83 PDE4A (0.37) SIGMAR1POLBSMN1; SMN2CXCR4CHRM5
SCHEMBL14614393 0.77 SIGMAR1 (0.37) SIGMAR1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL5858718 0.75 SIGMAR1 (0.40) SIGMAR1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL20333626 0.75 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL5858713 0.75 SIGMAR1 (0.40) SIGMAR1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL19466429 0.75 CYP2D6 (0.38) SIGMAR1ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL104919 0.75 ADRB1 (0.33) SIGMAR1
SCHEMBL3888868 0.75 ADRB1 (0.33) SIGMAR1
SCHEMBL19139233 0.74 GNAO1 (0.30)
SCHEMBL8501828 0.73 SIGMAR1 (0.39) SIGMAR1ALDH1A1HTTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 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-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 SIGMAR1 2184/4885ALDH1A1 601/4885HTT 43/4885

“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.