SCHEMBL2277113

SCHEMBL2277113

N#CC1(c2ccc(OCc3ccccc3)cc2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
OPRM1 P35372 1/20 0.48
LMNA P02545 5/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FFAR4 Q5NUL3 3/20 0.47
RORC P51449 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP2 P08253 1/20 0.45

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
SCHEMBL6211633 0.97 MAOB (0.55) MAOBOPRM1LMNACYP1A2PTGS1
SCHEMBL6208936 0.96 MAOB (0.54) MAOBOPRM1LMNACYP1A2PTGS1
SCHEMBL6208176 0.94 MAOB (0.58) MAOBOPRM1LMNACYP1A2PTGS1
SCHEMBL21874085 0.87 MAOB (0.51) MAOBOPRM1LMNACYP1A2PTGS1
SCHEMBL9966478 0.87 MAOB (0.51) MAOBOPRM1LMNACYP1A2PTGS1
SCHEMBL11044387 0.86 MAOB (0.50) MAOBOPRM1LMNACYP1A2PTGS1
SCHEMBL2274605 0.86 LMNA (0.51) MAOBLMNASMN1; SMN2FFAR4MAPT
SCHEMBL624010 0.80 OPRM1 (0.54) OPRM1LMNASMN1; SMN2RAB9A
SCHEMBL624584 0.80 KMT2A (0.48) OPRM1LMNASMN1; SMN2MAPTRAB9A
SCHEMBL16553890 0.77 LMNA (0.56) MAOBLMNACYP1A2PTGS1SLC6A2

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 18 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
US-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 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 (7 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 MAOB 141/4885OPRM1 100/4885LMNA 3042/4885
US-20110263888-A1 Cycloalkylmethylamines AADAC, GPR119, INMT MAOB 185/4885OPRM1 54/4885LMNA 3131/4885
US-20140194508-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT MAOB 171/4885OPRM1 120/4885LMNA 2928/4885
US-20080139663-A1 Cycloalkylmethylamine analogs; use treating obesity or related co-morbid indications AADAC, GPR119, MC4R MAOB 183/4885OPRM1 13/4885LMNA 3837/4885
US-20110263877-A1 Cycloalkylmethylamines AADAC, GPR119, INMT MAOB 185/4885OPRM1 54/4885LMNA 3131/4885
US-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA MAOB 3628/4885OPRM1 2605/4885LMNA 2034/4885
US-20130231386-A1 SYNTHESIS, METHODS OF USING, AND COMPOSITIONS OF CYCLOALKYLMETHYLAMINES AADAC, INMT, AADAT MAOB 171/4885OPRM1 120/4885LMNA 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.