SCHEMBL9913841

SCHEMBL9913841

N[C@H]1C[C@@H](Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.46
TEAD1 P28347 1/20 0.43
MAOB P27338 6/20 0.42
KDM1A O60341 3/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAOA P21397 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NAAA Q02083 1/20 0.41
EPHX2 P34913 3/20 0.40
KIF11 P52732 3/20 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
SCHEMBL23231040 1.00 BCL2A1 (0.46) BCL2A1TEAD1MAOBKDM1ASLC6A2
SCHEMBL9913889 1.00 BCL2A1 (0.46) BCL2A1TEAD1MAOBKDM1ASLC6A2
Hydrochloric Acid SCHEMBL9276249 0.98 BCL2A1 (0.46) BCL2A1TEAD1MAOBKDM1ASLC6A2
Hydrochloric Acid SCHEMBL9276244 0.98 BCL2A1 (0.46) BCL2A1TEAD1MAOBKDM1ASLC6A2
SCHEMBL23206925 0.88 BCL2A1 (0.58) BCL2A1TEAD1MAOBKDM1ASLC6A2
SCHEMBL23230941 0.88 BCL2A1 (0.58) BCL2A1TEAD1MAOBKDM1ASLC6A2
Hydrochloric Acid SCHEMBL23167122 0.86 BCL2A1 (0.57) BCL2A1TEAD1MAOBKDM1ASLC6A2
SCHEMBL18186078 0.85 BCL2A1 (0.53) BCL2A1TEAD1MAOBKDM1ASLC6A2
SCHEMBL18186080 0.85 BCL2A1 (0.53) BCL2A1TEAD1MAOBKDM1ASLC6A2
SCHEMBL18186081 0.85 BCL2A1 (0.53) BCL2A1TEAD1MAOBKDM1ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240076272-A1 Activators of Heme Regulated Inhibitor Kinase (HRI) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2024-03-07 US disclosed
WO-2021072028-A1 ACTIVATORS OF HEME REGULATED INHIBITOR KINASE (HRI) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-04-15 WO disclosed
WO-2012072512-A1 N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-06-07 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-20240076272-A1 Activators of Heme Regulated Inhibitor Kinase (HRI) EEF2K, ATF4, EIF2AK4 BCL2A1 1872/4885TEAD1 1304/4885MAOB 4058/4885

“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.