SCHEMBL30952103

SCHEMBL30952103

C[C@@H]1CNCCN1c1ccnnc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.43
GSK3B P49841 4/20 0.41
RAD52 P43351 1/20 0.41
CDK4 P11802 2/20 0.39
ROCK1 Q13464 4/20 0.38
ROCK2 O75116 2/20 0.38
HTR2C P28335 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37

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
SCHEMBL5461889 0.82 GSK3B (0.52) LATS1GSK3BRAD52ROCK1HTR2C
SCHEMBL38663101 0.82 GSK3B (0.52) LATS1GSK3BRAD52ROCK1HTR2C
SCHEMBL26669231 0.82 GSK3B (0.52) LATS1GSK3BRAD52ROCK1HTR2C
Hydrochloric Acid SCHEMBL30619012 0.81 GSK3B (0.51) LATS1GSK3BRAD52ROCK1HTR2C
SCHEMBL30609670 0.80 CHRNB2 (0.55) LATS1ROCK1HTR2CHTR2AHTR2B
SCHEMBL5464361 0.80 CHRNB2 (0.55) LATS1ROCK1HTR2CHTR2AHTR2B
SCHEMBL17884780 0.80 CHRNB2 (0.55) LATS1ROCK1HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL27544714 0.79 CHRNB2 (0.53) LATS1ROCK1
SCHEMBL18291389 0.77 CHRNB2 (0.49) LATS1GSK3BRAD52CDK4ROCK1
SCHEMBL20038550 0.77 CHRNB2 (0.49) LATS1GSK3BRAD52CDK4ROCK1

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-20240294550-A1 8-OXA-3-AZABICYCLO[3.2.1]OCTANE COMPOUNDS OR SALT THEREOF, AND PREPARATION METHOD AND USE THEREOF LITTDD MEDICINES LTD (CN) 2024-09-05 US disclosed
EP-4378943-A1 8-OXO-3-AZABICYCLO[3.2.1]OCTANE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF Littdd Medicines Ltd (CN) 2024-06-05 EP 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-20240294550-A1 8-OXA-3-AZABICYCLO[3.2.1]OCTANE COMPOUNDS OR SALT THEREOF, AND PREPARATION METHOD AND USE THEREOF ATR, OGG1, ATRIP LATS1 625/4885GSK3B 273/4885RAD52 459/4885

“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.