SCHEMBL3048743

SCHEMBL3048743

O=Cc1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.49
ALDH3A1 P30838 1/20 0.49
ALDH1A3 P47895 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX12 P18054 1/20 0.47

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
SCHEMBL15093911 0.88 LMNA (0.66) LMNASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL15264404 0.86 SMN1; SMN2 (0.50) LMNASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL3043717 0.85 LMNA (0.49) LMNASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL29954749 0.82 ADRB2 (0.51) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3041875 0.81 LMNA (0.49) LMNASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL10104444 0.78 ALDH1A1 (0.69) LMNASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL1592029 0.77 SMN1; SMN2 (0.46) LMNASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL1592096 0.77 SMN1; SMN2 (0.46) LMNASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL1592027 0.77 SMN1; SMN2 (0.46) LMNASMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL15094178 0.77 ALDH1A1 (0.61) LMNASMN1; SMN2ALDH1A1KDM4EL3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 US disclosed
US-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 US disclosed
US-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 US disclosed
EP-2149563-B9 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-04-22 EP disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2828253-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2015-01-28 EP disclosed
EP-2149563-B1 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-01-07 EP disclosed
WO-2013142307-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-09-26 WO disclosed
WO-2013142307-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS (US) 2013-09-26 WO disclosed
CN-101679309-B Novel pyrimidine compound having dibenzylamine structure, and medicine comprising the compound KOWA CO 2012-02-29 CN disclosed
CN-101679309-A Novel pyrimidine compound having dibenzylamine structure, and medicine comprising the compound KOWA CO 2010-03-24 CN disclosed
US-7659271-B2 Pyrimidine compound having dibenzylamine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2010-02-09 US disclosed
EP-2149563-A1 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND Kowa Company. Ltd. (JP) 2010-02-03 EP disclosed
US-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) KOWA COMPANY, LTD. (JP) 2009-03-26 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 (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-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) CETP, NPC1L1, MTTP LMNA 2286/4885SMN1; SMN2 4868/4885ALDH1A1 4452/4885
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME CPS1, FABP4, VHL LMNA 3782/4885SMN1; SMN2 1925/4885ALDH1A1 2586/4885

“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.