SCHEMBL2280035

SCHEMBL2280035

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
OPRM1 P35372 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAP4K4 O95819 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL2280033 0.77 ALDH1A1 (0.41) POLBCYP3A4CYP2D6NPSR1ALDH1A1
SCHEMBL3444680 0.74 ALDH1A1 (0.62) POLBCYP3A4CYP2D6NPSR1ALDH1A1
SCHEMBL1019336 0.71 ALDH1A1 (0.66) POLBCYP3A4CYP2D6NPSR1ALDH1A1
SCHEMBL21874245 0.69 ALDH1A1 (0.64) POLBCYP3A4CYP2D6NPSR1ALDH1A1
SCHEMBL1020841 0.69 ALDH1A1 (0.64) POLBCYP3A4CYP2D6NPSR1ALDH1A1
SCHEMBL6236758 0.69 MAPT (0.35) NPSR1ALDH1A1KDM4ELMNAMAPT
SCHEMBL6235956 0.69
SCHEMBL8838780 0.69
SCHEMBL307123 0.68 OPRM1 (0.41) POLBCYP3A4CYP2D6NPSR1ALDH1A1
SCHEMBL10110123 0.68 OPRM1 (0.41) POLBCYP3A4CYP2D6NPSR1ALDH1A1

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 POLB 1390/4885CYP3A4 473/4885CYP2D6 814/4885
US-20110263888-A1 Cycloalkylmethylamines AADAC, GPR119, INMT POLB 2382/4885CYP3A4 600/4885CYP2D6 739/4885
US-20140194508-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT POLB 1544/4885CYP3A4 243/4885CYP2D6 325/4885
US-20080139663-A1 Cycloalkylmethylamine analogs; use treating obesity or related co-morbid indications AADAC, GPR119, MC4R POLB 2762/4885CYP3A4 594/4885CYP2D6 539/4885
US-20110263877-A1 Cycloalkylmethylamines AADAC, GPR119, INMT POLB 2382/4885CYP3A4 600/4885CYP2D6 739/4885
US-20130231386-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT POLB 1544/4885CYP3A4 243/4885CYP2D6 325/4885

“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.