SCHEMBL3162896

SCHEMBL3162896

O=C(COc1ccc(F)cc1)Nc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ MAPT P10636 5/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SLC27A1 Q6PCB7 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3165921 0.84 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL3166045 0.83 RAB9A (0.53) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL3172806 0.79 RAB9A (0.66) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL4801558 0.76 NPC1 (0.50) NPC1RAB9AMAPTHSD17B10SLC27A1
SCHEMBL3174165 0.76 SLC27A1 (0.43) NPC1RAB9AMAPTSLC27A1ALDH1A1
SCHEMBL3166488 0.75 MAPT (0.51) NPC1RAB9AMAPTTSHRHSD17B10
SCHEMBL3164089 0.75 POLB (0.47) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL3157099 0.75 POLB (0.47) MAPTTSHRSLC27A1ALDH1A1LMNA
SCHEMBL4799692 0.74 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1MEN1
SCHEMBL3171977 0.74 ALDH1A1 (0.45) MAPTTSHRALDH1A1LMNATDP1

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 NPC1 2506/4885RAB9A 3147/4885MAPT 379/4885

“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.

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