SCHEMBL22100802

SCHEMBL22100802

CC(C)(C)[S+]([O-])N[C@H](CN)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
HTR2A P28223 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
RIPK1 Q13546 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HRH1 P35367 2/20 0.34
AOC3 Q16853 1/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 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
SCHEMBL28460556 1.00 TAAR1 (0.40) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL22100792 1.00 TAAR1 (0.40) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL23006109 0.85 LMNA (0.39) HTR2ASLC6A3RIPK1HRH1CACNA1F
SCHEMBL1231003 0.84 HDAC6 (0.36) AOC3
SCHEMBL16679944 0.82 AURKA (0.40) SLC6A4AOC3ROCK2RPS6KB1
SCHEMBL16681317 0.82 TAAR1 (0.35) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL16681318 0.82 TAAR1 (0.35) TAAR1HTR2ASLC6A3SLC6A2SLC6A4
SCHEMBL16679942 0.82 AURKA (0.40) SLC6A4AOC3ROCK2RPS6KB1
SCHEMBL2242090 0.82 AOC3 (0.38) HTR2ASLC6A3RIPK1HRH1AOC3
SCHEMBL14123426 0.82 AOC3 (0.38) HTR2ASLC6A3RIPK1HRH1AOC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078161-B2 Rock-inhibiting compound and uses thereof HITGEN INC. (CN) 2021-08-03 US disclosed
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN INC. (CN) 2020-06-18 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 (2 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-11078161-B2 Rock-inhibiting compound and uses thereof ROCK1, ROCK2, RHOA TAAR1 4473/4885HTR2A 3541/4885SLC6A3 3375/4885
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF ROCK1, ROCK2, RHOA TAAR1 4473/4885HTR2A 3541/4885SLC6A3 3375/4885

“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.