SCHEMBL14488248

SCHEMBL14488248

COc1ccc(CCN2CCN(c3nc(Cl)ns3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
HRH3 Q9Y5N1 2/20 0.53
ADRA1D P25100 4/20 0.48
ADRA1A P35348 4/20 0.48
ADRA1B P35368 4/20 0.48
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
RAB9A P51151 1/20 0.47
SMPD1 P17405 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HTR2B P41595 1/20 0.44
GRM2 Q14416 1/20 0.44

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
SCHEMBL14488389 0.86 SIGMAR1 (0.59) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486458 0.85 SIGMAR1 (0.58) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486421 0.85 SIGMAR1 (0.52) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486427 0.84 SIGMAR1 (0.51) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486442 0.83 ADRA1D (0.51) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14698978 0.83 SIGMAR1 (0.56) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14697929 0.83 SIGMAR1 (0.56) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14697894 0.82 SIGMAR1 (0.54) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486356 0.81 SIGMAR1 (0.48) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL14486549 0.81 FAAH (0.48) SIGMAR1HRH3ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 US disclosed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 EP disclosed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 US disclosed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP disclosed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO 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-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases MAPT, PSEN1, PSEN2 SIGMAR1 2467/4885HRH3 3735/4885ADRA1D 2484/4885

“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.