SCHEMBL2229009

SCHEMBL2229009

NCC1(c2cccc(-c3ccccc3)c2)CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.64
PRKACG P22612 1/20 0.64
PRKACB P22694 1/20 0.64
PRKCQ Q04759 3/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
SLC6A4 P31645 5/20 0.51
SLC6A3 Q01959 4/20 0.51
SLC6A2 P23975 2/20 0.51
DPP4 P27487 2/20 0.50
PRKCA P17252 1/20 0.49
FLT3 P36888 1/20 0.49
PRKCD Q05655 1/20 0.49
ICMT O60725 3/20 0.43
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL1492948 0.85 MAOA (0.73) PRKACAPRKACGPRKACBPRKCQMAOA
SCHEMBL13510869 0.81 MAOA (0.53) PRKACAPRKACGPRKACBPRKCQMAOA
SCHEMBL2225745 0.79 PRKACA (0.52) PRKACAPRKACGPRKACBPRKCQMAOA
SCHEMBL2702974 0.79 ICMT (0.53) PRKACAPRKACGPRKACBPRKCQMAOA
SCHEMBL15057062 0.79 SLC6A4 (0.71) PRKACAPRKACGPRKACBPRKCQMAOA
SCHEMBL2226153 0.79 MAOA (0.50) PRKACAPRKACGPRKACBMAOAMAOB
Hydrochloric Acid SCHEMBL29428962 0.78 ICMT (0.52) PRKACAPRKACGPRKACBPRKCQMAOA
Hydrochloric Acid SCHEMBL29428954 0.78 SLC6A4 (0.69) PRKACAPRKACGPRKACBPRKCQMAOA
SCHEMBL2225640 0.78 SLC6A4 (0.44) PRKACAPRKACGPRKACBPRKCQMAOA
SCHEMBL757203 0.76 SLC6A4 (0.74) PRKACAPRKACGPRKACBPRKCQMAOA

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 16 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
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 PRKACA 4074/4885PRKACG 4352/4885PRKACB 4370/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY PRKACA 4074/4885PRKACG 4352/4885PRKACB 4370/4885

“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.