SCHEMBL3157384

SCHEMBL3157384

O=C(Cc1cc(F)cc(F)c1)Nc1nc2c(s1)CCCC2C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.40
CNR2 P34972 6/20 0.40
ALDH1A1 P00352 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ADRB3 P13945 1/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
GLS O94925 1/20 0.36
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35

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
SCHEMBL3162473 0.85 SMN1; SMN2 (0.51) CNR1CNR2ALDH1A1CA1CA2
SCHEMBL3163132 0.84 KMT2A (0.48) CNR1CNR2ALDH1A1CA1CA2
SCHEMBL3164089 0.80 POLB (0.47) ALDH1A1MAPTNPSR1HTTKDM4E
SCHEMBL3172485 0.80 LMNA (0.43) ALDH1A1MAPTHTTGLSCCNE1
SCHEMBL3164100 0.79 LMNA (0.36) ALDH1A1MAPTLMNA
SCHEMBL3163673 0.77 KCNQ2 (0.44) ALDH1A1MAPTNPSR1KDM4ELMNA
SCHEMBL3163782 0.76 RAB9A (0.51) ALDH1A1MAPTNPSR1HTTKDM4E
SCHEMBL3162800 0.75 XIAP (0.45) CNR1CNR2ALDH1A1ADRB3GLS
SCHEMBL3162896 0.72 NPC1 (0.54) ALDH1A1MAPTNPSR1HTTKDM4E
SCHEMBL3157596 0.72 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ELMNA

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 CNR1 174/4885CNR2 45/4885ALDH1A1 963/4885

“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.