SCHEMBL3199018

SCHEMBL3199018

COCC1=C(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MKNK1 Q9BUB5 2/20 0.43
STS P08842 2/20 0.42
NR1H2 P55055 2/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
VEGFA P15692 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CACNB4 O00305 2/20 0.38
CACNA1A O00555 2/20 0.38
CACNA1G O43497 2/20 0.38
CACNG3 O60359 2/20 0.38
CACNA1F O60840 2/20 0.38
CACNA1H O95180 2/20 0.38
CACNB3 P54284 2/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNG7 P62955 2/20 0.38

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
SCHEMBL3206164 0.88 MEN1 (0.47) ESR2MEN1KMT2AMKNK1STS
SCHEMBL22325181 0.88 MEN1 (0.50) ESR2MEN1KMT2AMKNK1STS
SCHEMBL3210586 0.88 ESR2 (0.48) ESR2NR1H2
SCHEMBL3993782 0.82 KIT (0.44) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3025220 0.82 MEN1 (0.50) ESR2MEN1KMT2AMKNK1STS
SCHEMBL26648112 0.81 MEN1 (0.47) ESR2MEN1KMT2AMKNK1STS
SCHEMBL26648395 0.81 MEN1 (0.47) ESR2MEN1KMT2AMKNK1STS
SCHEMBL3197517 0.81 SLC6A3 (0.54) ESR2MEN1KMT2AMKNK1STS
SCHEMBL1956976 0.79 MEN1 (0.47) ESR2MEN1KMT2AMKNK1STS
SCHEMBL19167219 0.79 MAPT (0.50) ESR2STSNR1H2HTTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
EP-2064186-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE Glaxo Group Limited (GB) 2009-06-03 EP disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 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 (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-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 ESR2 2388/4885MEN1 1679/4885KMT2A 2449/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 ESR2 2047/4885MEN1 1464/4885KMT2A 2129/4885

“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.