SCHEMBL21798809

SCHEMBL21798809

COc1cc2c(cc1OC)CC(NC(=O)C(F)(F)F)CC2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.49
MTNR1B P49286 9/20 0.49
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
ACHE P22303 3/20 0.46
HTT P42858 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NQO2 P16083 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5889343 0.92 MTNR1A (0.45) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4217159 0.81 MTNR1A (0.73) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8960011 0.79 MTNR1A (0.52) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL9781783 0.78 CA1 (0.58) MTNR1AMTNR1BCA1CA2ACHE
Hydrochloric Acid SCHEMBL9352093 0.77 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4216627 0.76 CYP1A2 (0.57) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4656341 0.76 CYP1A2 (0.57) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL4207460 0.76 MTNR1A (0.47) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL5197648 0.76 CA1 (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3442063 0.76 MTNR1A (0.46) MTNR1AMTNR1BCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285147-B2 Neuroprotective agents for treatment of neurodegenerative diseases WAYNE STATE UNIVERSITY (US) 2022-03-29 US disclosed
US-20200078356-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES WAYNE STATE UNIVERSITY 2020-03-12 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 (2 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-20200078356-A1 NEUROPROTECTIVE AGENTS FOR TREATMENT OF NEURODEGENERATIVE DISEASES PARK7, SMN1; SMN2, CLN6 MTNR1A 82/4885MTNR1B 70/4885CA1 1614/4885
US-11285147-B2 Neuroprotective agents for treatment of neurodegenerative diseases PARK7, SMN1; SMN2, CLN6 MTNR1A 82/4885MTNR1B 70/4885CA1 1614/4885

“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.