SCHEMBL14488136

SCHEMBL14488136

Cc1ccccc1CN1CCN(c2nc(-c3ccc(C#N)cc3)ns2)CC1.Cc1ccccc1CN1CCN(c2nc(-c3cccc(C#N)c3)ns2)CC1.Fc1ccc(CCN2CCN(c3nc(-c4ccc(Cl)cc4)ns3)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 6/20 0.40
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 7/20 0.36
CYP3A4 P08684 1/20 0.36
ABCB1 P08183 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL14488408 0.94 KDM4E (0.40) ADRA1DADRA1AADRA1BKDM4ELMNA
SCHEMBL14488209 0.89 ABCC1 (0.39) ABCC1ADRA1DADRA1AADRA1BFAAH
SCHEMBL14486862 0.85 ABCC1 (0.44) ABCC1ADRA1DADRA1AADRA1BFAAH
SCHEMBL14488441 0.85 KDM4E (0.43) ADRA1DADRA1AADRA1BKDM4ELMNA
SCHEMBL14486474 0.83 KMT2A (0.47) KDM4ELMNAFAAHCYP3A4MEN1
SCHEMBL14486564 0.83 HRH3 (0.47) ABCC1ADRA1DADRA1AADRA1BFAAH
SCHEMBL14488300 0.83 FAAH (0.40) ADRA1DADRA1AADRA1BKDM4ELMNA
SCHEMBL14486434 0.82 FAAH (0.44) ABCC1ADRA1DADRA1AADRA1BFAAH
SCHEMBL14486605 0.81 KCNJ1 (0.45) ADRA1DADRA1AADRA1BLMNAFAAH
SCHEMBL14486245 0.81 KMT2A (0.50) KDM4ELMNAFAAHMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 US claimed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP claimed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO claimed

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 ABCC1 1305/4885ADRA1D 2484/4885ADRA1A 2502/4885

“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.