SCHEMBL16690106

SCHEMBL16690106

CCCN[C@@H]1CCc2nc(NC)sc2C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.69
DRD2 P14416 5/20 0.69
DRD4 P21917 3/20 0.69
HRH2 P25021 2/20 0.69
ADRA2A P08913 2/20 0.69
ADRB2 P07550 1/20 0.69
HTR1A P08908 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
HTR1B P28222 1/20 0.69
HTR2A P28223 1/20 0.69
HTR7 P34969 1/20 0.69
ADRA1A P35348 1/20 0.69
HRH1 P35367 1/20 0.69
HTR2B P41595 1/20 0.69
SIGMAR1 Q99720 1/20 0.69
HRH4 Q9H3N8 1/20 0.69
ROCK2 O75116 4/20 0.44
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8038081 0.89 DRD3 (0.69) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL28430172 0.88 DRD3 (0.64) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL28430173 0.88 DRD3 (0.64) DRD3DRD2DRD4HRH2ADRA2A
Hydrochloric Acid SCHEMBL7323381 0.87 ADRA2A (0.54) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL4786177 0.83 DRD3 (0.62) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL14146078 0.83 DRD3 (0.62) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL17302433 0.83 DRD3 (0.72) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL3981933 0.83 DRD3 (0.72) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL5805250 0.82 DRD3 (0.60) DRD3DRD2DRD4HRH2ADRA2A
SCHEMBL5709246 0.82 DRD3 (0.71) DRD3DRD2DRD4HRH2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208003-B2 Synthesis of amine substituted 4,5,6,7-tetrahydrobenzothiazole compounds KNOPP BIOSCIENCES LLC (US) 2019-02-19 US disclosed
US-20170158648-A1 SYNTHESIS OF AMINE SUBSTITUTED 4,5,6,7-TETRAHYDROBENZOTHIAZOLE COMPOUNDS ARETEIA THERAPEUTICS, INC. 2017-06-08 US disclosed
US-9512096-B2 Synthesis of amine substituted 4,5,6,7-tetrahydrobenzothiazole compounds Knopp Biosciences, LLP (US) 2016-12-06 US disclosed
US-20150126745-A1 SYNTHESIS OF AMINE SUBSTITUTED 4,5,6,7-TETRAHYDROBENZOTHIAZOLE COMPOUNDS ARETEIA THERAPEUTICS, INC. 2015-05-07 US 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 (3 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-20170158648-A1 SYNTHESIS OF AMINE SUBSTITUTED 4,5,6,7-TETRAHYDROBENZOTHIAZOLE COMPOUNDS TH, PAH, TPST2 DRD3 1157/4885DRD2 525/4885DRD4 113/4885
US-10208003-B2 Synthesis of amine substituted 4,5,6,7-tetrahydrobenzothiazole compounds TH, PAH, TPST2 DRD3 1157/4885DRD2 525/4885DRD4 113/4885
US-20150126745-A1 SYNTHESIS OF AMINE SUBSTITUTED 4,5,6,7-TETRAHYDROBENZOTHIAZOLE COMPOUNDS TH, PAH, TPST2 DRD3 1157/4885DRD2 525/4885DRD4 113/4885

“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.