SCHEMBL2225871

SCHEMBL2225871

N#CC1(c2cccc(-c3ccccc3)c2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
OPRM1 P35372 3/20 0.40
KMT2A Q03164 1/20 0.40
OPRL1 P41146 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
OPRD1 P41143 1/20 0.37

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
SCHEMBL626037 0.85 OPRM1 (0.51) OPRM1KMT2AOPRL1CA12CA1
SCHEMBL1598590 0.81 KMT2A (0.41) PIK3CDPRKACAPRKACGPRKACBOPRM1
SCHEMBL332840 0.79 KMT2A (0.40) PIK3CDPRKACAPRKACGPRKACBOPRM1
SCHEMBL1599547 0.79 KMT2A (0.40) PIK3CDPRKACAPRKACGPRKACBOPRM1
SCHEMBL1626920 0.79 ICMT (0.43) PIK3CDPRKACAPRKACGPRKACBOPRM1
SCHEMBL13439854 0.79 PIK3CD (0.45) PIK3CDPRKACAPRKACGPRKACBOPRM1
SCHEMBL7811081 0.79 KMT2A (0.40) PIK3CDPRKACAPRKACGPRKACBOPRM1
SCHEMBL625294 0.79 ICMT (0.44) PIK3CDOPRM1KMT2A
SCHEMBL2227341 0.79 KMT2A (0.64) OPRM1KMT2AOPRD1
SCHEMBL1697859 0.78 KMO (0.44) PIK3CDKMT2ACA12CA1CA2

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 13 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-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
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 PIK3CD 4746/4885PRKACA 4074/4885PRKACG 4352/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY PIK3CD 4746/4885PRKACA 4074/4885PRKACG 4352/4885

“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.