SCHEMBL31713613

SCHEMBL31713613

Fc1cc(Cl)ccc1N1CCNC2(CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
MAPKAPK2 P49137 1/20 0.36
DRD4 P21917 1/20 0.36
GRM2 Q14416 1/20 0.36
PHGDH O43175 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
GRM5 P41594 1/20 0.34
POLB P06746 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
SCHEMBL31713526 0.85 ROCK2 (0.39) ROCK2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL31713334 0.81 CHRNB2 (0.39) ROCK2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22550257 0.79 CYP1A2 (0.41) ROCK2CHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL22533630 0.78 CYP1A2 (0.40) ROCK2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL234944 0.77 HTR3A (0.55) MAPKAPK2ALDH1A1HTTHTR3EHTR3B
SCHEMBL29772851 0.77 HTR3A (0.55) MAPKAPK2ALDH1A1HTTHTR3EHTR3B
Hydrochloric Acid SCHEMBL22533692 0.75 HTR3A (0.54) MAPKAPK2ALDH1A1HTTHTR3EHTR3B
Hydrochloric Acid SCHEMBL1846343 0.75 HTR3A (0.54) MAPKAPK2ALDH1A1HTTHTR3EHTR3B
SCHEMBL24628133 0.75 SLC6A2 (0.46) ALDH1A1SLC6A2SLC6A3
SCHEMBL31713486 0.75 ROCK2 (0.43) ROCK2CHRNB2CHRNA4CHRNB4CHRNA3

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 ROCK2 4448/4885CHRNB2 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.