SCHEMBL14433570

SCHEMBL14433570

CC(C)(C)C1CCc2nc(N)sc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.51
DRD2 P14416 4/20 0.51
HRH2 P25021 2/20 0.51
ADRA2A P08913 2/20 0.51
DRD4 P21917 2/20 0.51
ADRB2 P07550 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50

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
SCHEMBL14433405 0.84 DRD3 (0.53) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL26813050 0.78 TP53 (0.46) MAPTLMNAPOLBGAAMAPK1
SCHEMBL5207812 0.77 PDK1 (0.62) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL2051128 0.75 LMNA (0.55) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL306889 0.75 LMNA (0.55) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL306888 0.75 LMNA (0.55) DRD3DRD2HRH2ADRA2ADRD4
SCHEMBL4703719 0.74 RORC (0.36) DRD3DRD2DRD4MAPTLMNA
SCHEMBL3536479 0.74 MAPT (0.57) MAPTLMNAPOLBGAAHSD17B10
SCHEMBL13314763 0.74 MAPT (0.57) MAPTLMNAPOLBGAAHSD17B10
Bromide SCHEMBL1193429 0.74 LMNA (0.54) DRD3DRD2HRH2ADRA2ADRD4

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
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-11285147-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2022-03-29 US disclosed
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2020-12-29 US disclosed
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2019-08-20 US disclosed
US-20190076426-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY 2019-03-14 US disclosed
US-20190038622-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY 2019-02-07 US disclosed
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-10-04 US disclosed
WO-2016042172-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-03-24 WO disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 US disclosed
US-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors MERCK SHARP & DOHME CORP. 2007-08-30 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 (8 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-20070203147-A1 2-Aminothiazole Compounds Useful As Aspartyl Protease Inhibitors BACE2, BACE1, APP DRD3 3393/4885DRD2 3531/4885HRH2 2274/4885
US-20180282348-A1 IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS S100B, S100P, S100A4 DRD3 4404/4885DRD2 4366/4885HRH2 2685/4885
US-10385069-B2 Imidazo[2,1-B]thiazole and 5,6-dihydroimidazo[2,1-B]thiazole derivatives useful as S100-inhibitors S100B, S100P, S100A4 DRD3 4404/4885DRD2 4366/4885HRH2 2685/4885
US-20190076426-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA DRD3 657/4885DRD2 611/4885HRH2 101/4885
US-20190038622-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA DRD3 657/4885DRD2 611/4885HRH2 101/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B DRD3 3169/4885DRD2 4210/4885HRH2 1032/4885
US-11285147-B2 Neuroprotective agents for treatment of neurodegenerative diseases PARK7, SMN1; SMN2, CLN6 DRD3 377/4885DRD2 283/4885HRH2 393/4885
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases SMN1; SMN2, PARK7, SNCA DRD3 657/4885DRD2 611/4885HRH2 101/4885

“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.