SCHEMBL4283638

SCHEMBL4283638

Clc1ccc(C2CCCN2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.40
CHRM3 P20309 5/20 0.40
CHRM2 P08172 5/20 0.40
CHRM1 P11229 4/20 0.40
CHRM4 P08173 4/20 0.40
F2 P00734 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL15240168 0.78 CHRM5 (0.40) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL168722 0.78 CHRM2 (0.46) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL9590421 0.76 HTR2A (0.38) HTR2AHTR2CSLC6A4SLC6A3
SCHEMBL21009725 0.73 HTR2A (0.33) HTR2AHTR2CKMT2A
SCHEMBL26998904 0.73 DAO (0.38) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL21962777 0.71 CA2 (0.39) CHRM5CHRM3CHRM2CHRM1CHRM4
SCHEMBL14709145 0.71
SCHEMBL24364000 0.70 PARP1 (0.42) F2CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL27869187 0.70 ALDH1A1 (0.43) F2HTR2AHTR2CL3MBTL1MEN1
SCHEMBL6179170 0.69 CHRM5 (0.46) CHRM5CHRM3CHRM2CHRM1CHRM4

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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US disclosed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO 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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA CHRM5 864/4885CHRM3 583/4885CHRM2 302/4885

“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.