SCHEMBL2226153

SCHEMBL2226153

CN1CCC(CN)(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 3/20 0.49
SLC6A2 P23975 2/20 0.49
DPP4 P27487 3/20 0.47
DRD4 P21917 1/20 0.45
OPRM1 P35372 1/20 0.45
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
MCHR1 Q99705 1/20 0.43
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
AXL P30530 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
SLC18A3 Q16572 1/20 0.41

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
SCHEMBL14385514 0.89 PRKACA (0.42) MAOAMAOBTAAR1SLC6A4SLC6A3
SCHEMBL468959 0.86 MAOA (0.68) MAOAMAOBTAAR1SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3597198 0.84 MAOA (0.66) MAOAMAOBTAAR1SLC6A4SLC6A3
SCHEMBL13510886 0.83 SLC6A4 (0.44) MAOAMAOBTAAR1SLC6A4SLC6A3
SCHEMBL4657320 0.81 SLC6A4 (0.48) MAOAMAOBTAAR1SLC6A4SLC6A3
SCHEMBL13510869 0.79 MAOA (0.53) MAOAMAOBTAAR1SLC6A4SLC6A3
SCHEMBL2229009 0.79 PRKACA (0.64) MAOAMAOBTAAR1SLC6A4SLC6A3
SCHEMBL15056945 0.78 KMT2A (0.59) SLC6A4SLC6A3SLC6A2DPP4OPRM1
SCHEMBL14385971 0.77 PRKACA (0.42) MAOAMAOBTAAR1SLC6A4SLC6A3
SCHEMBL13713106 0.76 OPRM1 (0.61) MAOAMAOBTAAR1SLC6A4SLC6A3

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 17 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
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 US 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 (3 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 MAOA 2217/4885MAOB 1311/4885TAAR1 1529/4885
US-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MAOA 204/4885MAOB 269/4885TAAR1 2250/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MAOA 204/4885MAOB 269/4885TAAR1 2250/4885

“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.