SCHEMBL3520001

SCHEMBL3520001

CCC1(O)CCCCC1(C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
POLB P06746 1/20 0.40
TET3 O43151 1/20 0.40
FBXL19 Q6PCT2 1/20 0.40
CXXC5 Q7LFL8 1/20 0.40
TET1 Q8NFU7 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CXXC4 Q9H2H0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
P2RX7 Q99572 2/20 0.39

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
SCHEMBL3521192 0.84 SLC6A4 (0.44) KMT2AMEN1TSHRPOLBADORA3
SCHEMBL3517808 0.83 HDAC4 (0.41) KMT2AMEN1TSHRLMNASMN1; SMN2
SCHEMBL3518757 0.80 SLC6A3 (0.42) KMT2AMEN1TSHRSLC6A4SLC6A3
SCHEMBL3518088 0.78 SLC6A3 (0.43) ALDH1A1SLC6A4SLC6A3
SCHEMBL3518142 0.77 SLC6A4 (0.45) SLC6A4SLC6A3
SCHEMBL11836311 0.75 CYP3A4 (0.41) TSHRCYP3A4CYP2C19LMNASMN1; SMN2
SCHEMBL3520299 0.74 SLC6A3 (0.45) CYP3A4CYP2C19SMN1; SMN2ALDH1A1SLC6A4
SCHEMBL3519954 0.73 CCR2 (0.44) KMT2AMEN1HSD11B1SLC6A4SLC6A3
SCHEMBL2033743 0.72 CFTR (0.47) KMT2ALMNATET3FBXL19CXXC5
SCHEMBL503291 0.72 KMT2A (0.65) KMT2AMEN1TSHRCYP3A4CYP2C19

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 7 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-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US 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
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 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 (4 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 KMT2A 755/4885MEN1 4234/4885TSHR 1461/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 KMT2A 755/4885MEN1 4234/4885TSHR 1461/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 KMT2A 755/4885MEN1 4234/4885TSHR 1461/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 KMT2A 755/4885MEN1 4234/4885TSHR 1461/4885

“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.