SCHEMBL2977251

SCHEMBL2977251

COc1ccccc1-c1csc(C2CCN(C(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
UCHL1 P09936 1/20 0.42
USP30 Q70CQ3 1/20 0.42
VCP P55072 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.41
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL24188227 0.88 CYP19A1 (0.47) CYP19A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2981402 0.85 CYP1A1 (0.54) MAPTKMT2AHPGDSMN1; SMN2KDM4E
SCHEMBL2972744 0.85 ALDH1A1 (0.43) CYP19A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2980025 0.83 UCHL1 (0.46) CYP19A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL25168799 0.82 FAAH (0.49) ATP4AATP4BUCHL1USP30MAPT
SCHEMBL4257716 0.81 HPGDS (0.53) CYP19A1ATP4AATP4BVCPPTGS2
SCHEMBL2981891 0.81 MAPT (0.50) MAPTKMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL2970766 0.80 L3MBTL1 (0.52) MAPTKMT2AHPGDSMN1; SMN2HPGDS
Bromide SCHEMBL2981940 0.80 HPGDS (0.52) CYP19A1ATP4AATP4BVCPPTGS2
SCHEMBL2986385 0.79 RAB9A (0.58) CYP19A1PTGS2MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786143-B2 Thiazolyl piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US claimed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP claimed
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP claimed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US claimed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
US-7786143-B2 Thiazolyl piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2010-08-31 US disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
EP-1945635-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-23 EP disclosed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US disclosed
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 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-20070043083-A1 Thiazolyl piperidine derivatives HRH3, HRH4, H1-3 CYP19A1 1136/4885CHRM2 39/4885CHRM4 259/4885

“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.