SCHEMBL3166045

SCHEMBL3166045

CN1CCCN(C(=O)C2CCCc3sc(NC(=O)COc4ccccc4)nc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPT P10636 7/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 3/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ THRB P10828 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.40

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
SCHEMBL3163782 0.86 RAB9A (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3162896 0.83 NPC1 (0.54) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL3172806 0.83 RAB9A (0.66) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4804431 0.78 NPC1 (0.46) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4803813 0.76 RAB9A (0.48) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3173967 0.76 RAB9A (0.64) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3157596 0.74 ALDH1A1 (0.45) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL3166488 0.72 MAPT (0.51) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3163132 0.72 KMT2A (0.48) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL3162473 0.72 SMN1; SMN2 (0.51) RAB9ANPC1TDP1MAPTSMN1; SMN2

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 RAB9A 3147/4885NPC1 2506/4885TDP1 3034/4885

“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.

Send feedback