SCHEMBL10052293

SCHEMBL10052293

CC(C)CCO[C@H]1CC[C@H](C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.40

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
SCHEMBL17916221 1.00 HCRTR2 (0.40) HCRTR2
SCHEMBL10186897 0.89
SCHEMBL10052295 0.88 HCRTR2 (0.33) HCRTR2
SCHEMBL26393200 0.83 HCRTR2 (0.34) HCRTR2
SCHEMBL10077153 0.81 HCRTR2 (0.36) HCRTR2
SCHEMBL19576091 0.81 HCRTR2 (0.33) HCRTR2
SCHEMBL10327057 0.81 HCRTR2 (0.36) HCRTR2
SCHEMBL17916210 0.80 NPC1 (0.39)
SCHEMBL9251176 0.80 NPC1 (0.43)
SCHEMBL21245997 0.80 HCRTR2 (0.32) HCRTR2

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-20220185814-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2022-06-16 US disclosed
US-8178531-B2 Antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20110218175-A1 ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2011-09-08 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-20110218175-A1 ANTIVIRAL AGENTS EIF2AK2, HAVCR2, MAVS HCRTR2 3949/4885
US-20220185814-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, GALC HCRTR2 1434/4885

“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.