SCHEMBL2701864

SCHEMBL2701864

CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(N3CCN(C(=O)O)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
CYP3A4 P08684 4/20 0.41
ROCK2 O75116 3/20 0.40
AKR1C3 P42330 1/20 0.36
C1S P09871 2/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GFER P55789 1/20 0.34
TP53 P04637 1/20 0.34
PANK3 Q9H999 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL5097228 0.75 MAPT (0.47) MAPTALDH1A1SMN1; SMN2
SCHEMBL17275595 0.73 RAPGEF4 (0.45) SMN1; SMN2HCAR2
SCHEMBL5097575 0.73 HTR6 (0.49) HTR6MAPTALDH1A1SMN1; SMN2GFER
SCHEMBL20694910 0.71 ADAMTS5 (0.43) MAPTGFERTP53
SCHEMBL27506891 0.70 HTR6 (0.83) HTR6ALDH1A1
SCHEMBL28740894 0.70 HTR6 (0.43) HTR6AKR1C3C1SHCAR2
SCHEMBL2502244 0.70 KDM4E (0.36) MAPTALDH1A1SMN1; SMN2
SCHEMBL8322575 0.68 SOS1 (0.42) HTR6CYP3A4ALDH1A1CCR1
SCHEMBL28979 0.68 HTR2A (0.49) MAPTALDH1A1
SCHEMBL1856356 0.68 KDM4E (0.46) CYP3A4MAPTALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925755-B1 NEUROPROTECTIVE AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV WAYNE STATE (US) 2021-09-08 EP disclosed
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2020-12-29 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-10125127-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2018-11-13 US disclosed
US-20150299180-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2015-10-22 US disclosed
EP-2925755-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES Wayne State University (US) 2015-10-07 EP disclosed
US-9034877-B2 Bifunctional/polyfunctional dopamine D2/D3 agonist as neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2015-05-19 US disclosed
WO-2014085600-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2014-06-05 WO disclosed
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2012-05-03 US disclosed
WO-2010123995-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY (US) 2010-10-28 WO disclosed
CN-1257892-C New indole derivatives with 5-HT6 receptor affinity HOFFMANN LA ROCHE (CH) 2006-05-31 CN disclosed
CN-1527816-A Novel indole derivatives having 5-HT 6 receptor affinity - 2004-09-08 CN 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 (6 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-20150299180-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES RTN4, NR4A1, NR4A3 HTR6 397/4885CYP3A4 1849/4885ROCK2 4317/4885
US-20190076426-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA HTR6 1058/4885CYP3A4 4526/4885ROCK2 2090/4885
US-20190038622-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, PARK7, SNCA HTR6 1058/4885CYP3A4 4526/4885ROCK2 2090/4885
US-10125127-B2 Neuroprotective agents for treatment of neurodegenerative diseases RTN4, NR4A1, NR4A3 HTR6 397/4885CYP3A4 1849/4885ROCK2 4317/4885
US-20120108815-A1 BIFUNCTIONAL/POLYFUNCTIONAL DOPAMINE D2/D3 AGONIST AS NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES DRD3, DRD2, SLC6A3 HTR6 166/4885CYP3A4 4259/4885ROCK2 2425/4885
US-10874669-B2 Neuroprotective agents for treatment of neurodegenerative diseases SMN1; SMN2, PARK7, SNCA HTR6 1058/4885CYP3A4 4526/4885ROCK2 2090/4885

“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.