SCHEMBL2225640

SCHEMBL2225640

NCC1(c2cc(-c3ccccc3)cs2)CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
SLC6A2 P23975 3/20 0.44
PRKACA P17612 2/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
DPP4 P27487 2/20 0.39
PRKCQ Q04759 2/20 0.38
MMP12 P39900 1/20 0.36
PRKCA P17252 1/20 0.35
FLT3 P36888 1/20 0.35
PRKCD Q05655 1/20 0.35
AR P10275 1/20 0.35
ICMT O60725 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL2229009 0.78 PRKACA (0.64) SLC6A4SLC6A3SLC6A2PRKACAPRKACG
SCHEMBL1492948 0.74 MAOA (0.73) SLC6A4SLC6A3SLC6A2PRKACAPRKACG
SCHEMBL2225810 0.74 AR (0.35) PRKACAPRKACGPRKACBMMP12AR
SCHEMBL2226913 0.72 KDM4E (0.39) SLC6A4SLC6A3SLC6A2PRKACAPRKACG
SCHEMBL2223122 0.72 HDAC4 (0.47) TAAR1AR
SCHEMBL16292046 0.72 SLC6A2 (0.70) SLC6A2PRKACAPRKACGPRKACBMAOA
SCHEMBL17906515 0.66 SLC6A3 (0.82) SLC6A4SLC6A3SLC6A2MAOAMAOB
Biphenyl SCHEMBL22123804 0.66 ALDH1A1 (0.60) TAAR1AR
SCHEMBL31327819 0.65 MAOA (0.62) SLC6A4SLC6A3SLC6A2PRKACAPRKACG
SCHEMBL2227143 0.64 NR1H2 (0.41) SLC6A4SLC6A3SLC6A2PRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY SLC6A4 2485/4885SLC6A3 1407/4885SLC6A2 2738/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY SLC6A4 2485/4885SLC6A3 1407/4885SLC6A2 2738/4885

“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.