SCHEMBL23968807

SCHEMBL23968807

CC1CC2(CCN(CC(=O)O)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31

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
SCHEMBL15987016 0.85 HSD17B10 (0.35) ITGB3ITGA2BHSD17B10CYP1A2
SCHEMBL23906369 0.84 ITGB3 (0.40) ITGB3ITGA2BHSD17B10CYP2D6CYP3A4
SCHEMBL23968808 0.82 ITGB3 (0.37) ITGB3ITGA2BHSD17B10CYP1A2CYP2D6
SCHEMBL23896280 0.82 ITGB3 (0.37) ITGB3ITGA2BHSD17B10CYP1A2CYP2D6
SCHEMBL14671193 0.81 ITGB3 (0.42) ITGB3ITGA2BHSD17B10CYP2D6CYP3A4
SCHEMBL15986980 0.79 CYP1A2 (0.41) ITGB3ITGA2BHSD17B10CYP1A2
SCHEMBL23906394 0.79 ITGB3 (0.37) ITGB3ITGA2BHSD17B10
SCHEMBL20793573 0.79 ITGB3 (0.38) ITGB3ITGA2BHSD17B10CYP2D6CYP3A4
SCHEMBL20793493 0.79 ITGB3 (0.38) ITGB3ITGA2BHSD17B10CYP2D6CYP3A4
SCHEMBL20793574 0.79 TSHR (0.42) ITGB3ITGA2BHSD17B10CYP2D6CYP3A4

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-11161856-B2 Spirocycle compounds and methods of making and using same H. LUNDBECK A/S (DK) 2021-11-02 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-11161856-B2 Spirocycle compounds and methods of making and using same OPRL1, MGLL, VKORC1L1 ITGB3 4443/4885ITGA2B 4042/4885HSD17B10 670/4885

“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.