SCHEMBL3167442

SCHEMBL3167442

COc1ccc2ccccc2c1CN1CCN(C(=O)C2CCCc3sc(NC(=O)CC(C)(C)C)nc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RORC P51449 2/20 0.41
DHODH Q02127 2/20 0.41
HTT P42858 2/20 0.41
SIRT2 Q8IXJ6 6/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
S1PR5 Q9H228 1/20 0.38
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3157596 0.84 ALDH1A1 (0.45) MAPTALDH1A1LMNATSHRKMT2A
SCHEMBL3165649 0.78 SMN1; SMN2 (0.42) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4801552 0.74 RORC (0.39) MAPTALDH1A1LMNAHPGDHSD17B10
SCHEMBL4802748 0.72 MEN1 (0.53) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL3157325 0.72 RORC (0.41) LMNARORCDHODHGAAMAPK1
SCHEMBL3164126 0.72 KDM4E (0.46) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL3163287 0.71 LMNA (0.42) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL3163684 0.70 MAPT (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL4798494 0.69 RORC (0.40) LMNARORCDHODHMAPK1SMN1; SMN2
SCHEMBL3157344 0.69 ADORA1 (0.47) MAPTHSD17B10KMT2ARORCDHODH

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 MAPT 379/4885ALDH1A1 963/4885LMNA 3504/4885

“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.