SCHEMBL17954204

SCHEMBL17954204

O=C(C#Cc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
RAB9A P51151 1/20 0.62
GRM5 P41594 5/20 0.61
AR P10275 1/20 0.59
HPGD P15428 1/20 0.54
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
BLM P54132 1/20 0.51
GPR183 P32249 3/20 0.51
MAOB P27338 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL17938688 0.90 GPR183 (0.65) LMNAMAPK1RAB9AGRM5AR
SCHEMBL2474223 0.85 AR (0.64) LMNAMAPK1RAB9AGRM5AR
SCHEMBL19823672 0.83 AR (0.61) MAPK1GRM5ARHPGDUSP2
SCHEMBL24416093 0.81 AR (0.60) RAB9AGRM5ARHPGDUSP2
SCHEMBL4563425 0.81 LMNA (0.62) LMNAMAPK1RAB9AGRM5HPGD
SCHEMBL252026 0.80 HPGD (0.79) LMNAMAPK1HPGDUSP2ALDH1A1
SCHEMBL7129676 0.80 HPGD (0.79) LMNAMAPK1HPGDUSP2ALDH1A1
SCHEMBL17954064 0.79 GRM5 (0.62) LMNAMAPK1RAB9AGRM5HPGD
SCHEMBL2342238 0.79 AR (0.57) GRM5ARUSP2ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL1597472 0.78 HPGD (0.76) LMNAMAPK1HPGDUSP2ALDH1A1

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-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS LMNA 2951/4885MAPK1 2264/4885RAB9A 1970/4885

“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.