SCHEMBL23996099

SCHEMBL23996099

CCCCCCO[C@H]1CC[C@H](NC(=O)c2ncc3c(C)cc(C)nn23)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.41
▸ CNR1 P21554 7/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ CD38 P28907 3/20 0.37
▸ CRHR1 P34998 1/20 0.36
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL23996098 1.00 CNR2 (0.41) CNR2CNR1EPHX2CD38CRHR1
SCHEMBL19689241 0.99 CNR2 (0.42) CNR2CNR1EPHX2CD38CRHR1
SCHEMBL19578112 0.99 CNR2 (0.42) CNR2CNR1EPHX2CD38CRHR1
SCHEMBL19555168 0.82 TYK2 (0.44) CNR2CNR1EPHX2MAPK14
SCHEMBL19555169 0.82 TYK2 (0.44) CNR2CNR1EPHX2MAPK14
SCHEMBL19705413 0.75 NTRK1 (0.41) CNR2CNR1EPHX2CRHR1
SCHEMBL19577953 0.75 NTRK1 (0.41) CNR2CNR1EPHX2CRHR1
SCHEMBL19554989 0.75 TYK2 (0.42) CNR2CNR1EPHX2MAPK14
SCHEMBL19554993 0.75 TYK2 (0.42) CNR2CNR1EPHX2MAPK14
SCHEMBL19554999 0.73 NTRK1 (0.42) CNR2EPHX2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168087-B2 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) 2021-11-09 — — 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 (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-11168087-B2 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 CNR2 402/4885CNR1 420/4885EPHX2 4113/4885

“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.

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