SCHEMBL3517848

SCHEMBL3517848

Clc1ccc(NC2CCCCC2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
ALOX12 P18054 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TRPA1 O75762 1/20 0.49
KDM4E B2RXH2 1/20 0.47
APAF1 O14727 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR1H4 Q96RI1 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7784547 1.00 MAPT (0.59) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL1566944 0.98 MAPT (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3783518 0.85 IDO1 (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3784611 0.85 MAPT (0.45) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3792014 0.84 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL12239184 0.84 S1PR1 (0.57) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3784751 0.84 MAPT (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL2094106 0.81 FPR2 (0.45) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL7790025 0.81 TRPA1 (0.47) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL29793652 0.81 MAPT (0.45) MAPTMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2018-03-01 US disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
CN-101394847-B Cycloalkylamines as monoamine reuptake inhibitors 塞普拉柯公司 2017-05-24 CN disclosed
EP-1976513-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
US-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 US disclosed
US-8877975-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2014-11-04 US disclosed
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 US disclosed
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 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 (5 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 MAPT 969/4885MEN1 4234/4885KMT2A 755/4885
US-20180057444-A1 AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS AHR, TYR, CYP1A1 MAPT 4289/4885MEN1 3152/4885KMT2A 158/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 MAPT 969/4885MEN1 4234/4885KMT2A 755/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 MAPT 969/4885MEN1 4234/4885KMT2A 755/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 MAPT 969/4885MEN1 4234/4885KMT2A 755/4885

“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.