SCHEMBL2979634

SCHEMBL2979634

Fc1ccc(-c2csc(C3CCN(C4CCCC4)CC3)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ENPP2 Q13822 1/20 0.43
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SCN9A Q15858 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
POLB P06746 1/20 0.37
ACKR3 P25106 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
SCHEMBL2972791 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL20665833 0.85 RAB9A (0.52) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2972818 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2972814 0.83 AR (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2981893 0.81 SLC18A3 (0.50) ALDH1A1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2973505 0.81 HSD11B1 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2976495 0.81 FAAH (0.43) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2985080 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2969139 0.81 RAB9A (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL2978630 0.81 MAPT (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E

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
WO-2007020213-A2 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO claimed
US-20070043083-A1 Thiazolyl piperidine derivatives HOFFMANN-LA ROCHE INC. 2007-02-22 US 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 ALDH1A1 263/4885SMN1; SMN2 3880/4885RAB9A 2477/4885

“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.