SCHEMBL2280033

SCHEMBL2280033

CC(C)(C)[Si](C)(C)Oc1ccc(C2(C#N)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
PREP P48147 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRM1 P35372 3/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3272607 0.89 PREP (0.37) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL2280035 0.77 POLB (0.48) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL3444680 0.76 ALDH1A1 (0.62) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL21820677 0.75 SLC6A2 (0.51) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL17105779 0.74 KMT2A (0.34) KMT2ACA12CA1CA9
SCHEMBL2280037 0.74 BCHE (0.34)
SCHEMBL6763899 0.73 PREP (0.53) ALDH1A1KDM4EPREPCA12CA1
SCHEMBL8705852 0.73 HRH3 (0.43) PREPOPRM1CA12CA1CA9
SCHEMBL1019336 0.73 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL624690 0.72 MEN1 (0.54) ALDH1A1KDM4ELMNAMAPTPOLB

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-2066329-B1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOBUTYLMETHYLAMINES REVIVA PHARMACEUTICALS INC (US) 2017-09-06 EP disclosed
US-9302981-B2 Synthesis, methods of using, and compositions of cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-04-05 US disclosed
US-20140194508-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8669285-B2 Synthesis, methods of using, and compositions of cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2014-03-11 US disclosed
US-20130231386-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445714-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-8372883-B2 Methods of using cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2013-02-12 US disclosed
US-8338632-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2012-12-25 US disclosed
US-20110263704-A1 Methods of Using Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110263888-A1 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110263877-A1 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-7989500-B2 Synthesis, methods of using, and compositions of cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2011-08-02 US disclosed
EP-2066329-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES Reviva Pharmaceuticals, Inc. (US) 2009-06-10 EP disclosed
US-20080139663-A1 Cycloalkylmethylamine analogs; use treating obesity or related co-morbid indications REVIVA PHARMACEUTICALS, INC. 2008-06-12 US disclosed
WO-2008034142-A2 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES REVIVA PHARMACEUTICALS, INC. (US) 2008-03-20 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 (6 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-20110263704-A1 Methods of Using Cycloalkylmethylamines AADAC, PNMT, INMT ALDH1A1 828/4885KDM4E 728/4885LMNA 3042/4885
US-20110263888-A1 Cycloalkylmethylamines AADAC, GPR119, INMT ALDH1A1 794/4885KDM4E 648/4885LMNA 3131/4885
US-20140194508-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT ALDH1A1 1066/4885KDM4E 556/4885LMNA 2928/4885
US-20080139663-A1 Cycloalkylmethylamine analogs; use treating obesity or related co-morbid indications AADAC, GPR119, MC4R ALDH1A1 737/4885KDM4E 787/4885LMNA 3837/4885
US-20110263877-A1 Cycloalkylmethylamines AADAC, GPR119, INMT ALDH1A1 794/4885KDM4E 648/4885LMNA 3131/4885
US-20130231386-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT ALDH1A1 1066/4885KDM4E 556/4885LMNA 2928/4885

“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.