SCHEMBL5228738

SCHEMBL5228738

CC(=C(C#N)C(N)=S)N1CCC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
SLC18A3 Q16572 5/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GRIN2B Q13224 2/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
DRD2 P14416 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5228726 1.00 KCNH2 (0.44) KCNH2HRH3SIGMAR1SLC18A3ALDH1A1
SCHEMBL5228735 1.00 KCNH2 (0.44) KCNH2HRH3SIGMAR1SLC18A3ALDH1A1
SCHEMBL5230772 0.86 ALDH1A1 (0.43) ALDH1A1NPC1RAB9APARP14PARP10
SCHEMBL5230767 0.86 ALDH1A1 (0.43) ALDH1A1NPC1RAB9APARP14PARP10
SCHEMBL5230779 0.86 ALDH1A1 (0.43) ALDH1A1NPC1RAB9APARP14PARP10
SCHEMBL5233920 0.81 MGLL (0.54) KCNH2HRH3ALDH1A1MAPT
SCHEMBL5233915 0.81 MGLL (0.54) KCNH2HRH3ALDH1A1MAPT
SCHEMBL5233926 0.81 MGLL (0.54) KCNH2HRH3ALDH1A1MAPT
SCHEMBL5235609 0.79 HRH3 (0.38) KCNH2HRH3SIGMAR1SLC18A3NPC1
SCHEMBL5235617 0.79 HRH3 (0.38) KCNH2HRH3SIGMAR1SLC18A3NPC1

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-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 KCNH2 63/4885HRH3 3/4885SIGMAR1 2312/4885

“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.