SCHEMBL25823870

SCHEMBL25823870

CCC(C)Oc1cccc2ncc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
IDO1 P14902 1/20 0.34

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
SCHEMBL26317670 0.77 PDGFRA (0.47) PDE10AGAK
SCHEMBL25831107 0.77 CACNA2D1 (0.49) MCHR1CACNA2D1
SCHEMBL25827570 0.72 LOXL2 (0.42) MCHR1GPBAR1CYSLTR1GABRPGABRD
SCHEMBL23066157 0.71 MAPK8 (0.41) GABRA1GABRB2TP53THRBMEN1
SCHEMBL18368376 0.71 ALOX5AP (0.36) GABRA1GABRB1GABRG2GABRB3GABRA5
SCHEMBL25820067 0.71 GABRA1 (0.41) GABRA1GABRB2PDE10AMEN1HTT
SCHEMBL18378968 0.69 CYP1A2 (0.39)
SCHEMBL31325676 0.68 MAPK8 (0.41) TP53MAPT
SCHEMBL30824494 0.68 PDGFRB (0.54) PDE10AMEN1HTTKMT2AL3MBTL1
SCHEMBL9477167 0.67 MCHR1 (0.54) MCHR1MEN1KMT2A

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 MCHR1 4479/4885GPBAR1 828/4885CYSLTR1 3667/4885

“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.