SCHEMBL3234142

SCHEMBL3234142

C=CCNC(CC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
GRM7 Q14831 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 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
Hydrochloric Acid SCHEMBL2322263 0.98 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL20843407 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL24325919 0.83 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5790334 0.82 HPGD (0.39) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL11665011 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL6389932 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL11665013 0.81 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL5591284 0.80 SLC2A1 (0.43) SMN1; SMN2ALDH1A1MAPT
SCHEMBL12228438 0.78 LMNA (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13970878 0.78 LMNA (0.46) SMN1; SMN2ALDH1A1KDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946302-B2 Selective sigma-1 receptor ligands WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-02-03 US disclosed
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-8349898-B2 Sigma-1 receptor ligands and methods of use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-15 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 (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-20100179111-A1 SIGMA-1 RECEPTOR LIGANDS AND METHODS OF USE SIGMAR1, OPRL1, OPRK1 SMN1; SMN2 2251/4885ALDH1A1 689/4885KDM4E 4668/4885
US-20130102571-A1 SELECTIVE SIGMA-1 RECEPTOR LIGANDS SIGMAR1, OPRL1, OPRK1 SMN1; SMN2 2225/4885ALDH1A1 702/4885KDM4E 4678/4885

“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.