SCHEMBL31713596

SCHEMBL31713596

Fc1ccc(N2CCNC3(CC3)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
ROCK2 O75116 2/20 0.41
HDAC1 Q13547 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRND Q07001 1/20 0.37
SCN9A Q15858 1/20 0.37
DHFR P00374 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
GRM1 Q13255 2/20 0.36
CDK4 P11802 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HDAC3 O15379 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
SCHEMBL3395979 0.82 GRIN2D (0.43) RETCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31713341 0.82 CHRNB2 (0.48) RETCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31713149 0.81 ROCK2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ROCK2
SCHEMBL31713251 0.76 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ROCK2
SCHEMBL1594249 0.76 PLD1 (0.53) HDAC1DHFRGPR119HDAC3HDAC2
SCHEMBL31713794 0.76 PLD1 (0.58) CHRNB2CHRNA4
SCHEMBL31713467 0.76 ROCK2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3ROCK2
SCHEMBL31713717 0.75 ROCK2 (0.45) RETCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL16540236 0.75 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3ROCK2
Hydrochloric Acid SCHEMBL26633229 0.74 PLD1 (0.51) HDAC1DHFRGPR119HDAC3HDAC2

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-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYSOWAY THERAPEUTICS INC (US) 2025-10-30 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-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF STOML2, ATP2A3, ATP2A1 RET 1558/4885CHRNB2 1846/4885CHRNA4 2138/4885

“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.