SCHEMBL25831107

SCHEMBL25831107

CCC(C)Oc1cccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 16/20 0.49
MCHR1 Q99705 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL25827570 0.89 LOXL2 (0.42) CACNA2D1MCHR1
SCHEMBL2586363 0.83 CACNA2D1 (0.49) CACNA2D1
SCHEMBL9601934 0.78 SYK (0.54) CACNA2D1NR3C1
SCHEMBL2608852 0.78 NR3C1 (0.54) CACNA2D1NR3C1
SCHEMBL25823363 0.77 MCHR1 (0.42) CACNA2D1MCHR1
SCHEMBL28062487 0.77 CACNA2D1 (0.47) CACNA2D1
SCHEMBL25823870 0.77 MCHR1 (0.41) CACNA2D1MCHR1
SCHEMBL8029698 0.76 MCHR1 (0.64) MCHR1
SCHEMBL6274946 0.76 KMT2A (0.50) CACNA2D1
SCHEMBL3133596 0.76 KMT2A (0.50) CACNA2D1

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CACNA2D1 3400/4885MCHR1 4479/4885NR3C1 625/4885

“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.