SCHEMBL3157461

SCHEMBL3157461

CN(C)CCN1CCN(C(=O)C2CCCc3sc(NC(=O)CC4CCCCC4)nc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
P2RX7 Q99572 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RORC P51449 3/20 0.38
DHODH Q02127 3/20 0.38
CSNK1D P48730 1/20 0.37
GRIN2B Q13224 3/20 0.37
BCHE P06276 2/20 0.37
ACKR3 P25106 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA2 P00918 1/20 0.35
GLS O94925 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL3163132 0.80 KMT2A (0.48) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL3163907 0.77 NPC1 (0.50) P2RX7NPC1RAB9ASMN1; SMN2GAA
Formic Acid SCHEMBL4806116 0.74 NPC1 (0.47) P2RX7NPC1RAB9ASMN1; SMN2GAA
SCHEMBL4806056 0.74 PARP1 (0.47) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL13452554 0.74 GLS (0.49) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL4806109 0.73 NPC1 (0.46) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL13452555 0.72 CSNK1D (0.40) P2RX7NPC1RAB9ASMN1; SMN2GAA
SCHEMBL4802804 0.71 KDM4E (0.39) ACHEP2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL4802563 0.71 MEN1 (0.45) P2RX7NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3157596 0.70 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US claimed
JP-2007522171-A 2007-08-09 JP claimed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US claimed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP claimed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 WO claimed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
US-7348347-B2 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2008-03-25 US disclosed
US-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds GRUENENTHAL GMBH (DE) 2007-02-01 US disclosed
EP-1716128-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-11-02 EP disclosed
WO-2005077924-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2005-08-25 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-20070027315-A1 Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds TPH2, HTR6, TPH1 ACHE 39/4885P2RX7 67/4885NPC1 2506/4885

“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.