SCHEMBL4640367

SCHEMBL4640367

O=C(O)c1cc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc2c1OCCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CNR1 P21554 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
EIF4E P06730 1/20 0.42
LRRK2 Q5S007 2/20 0.42
BRD9 Q9H8M2 1/20 0.41
RORC P51449 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 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
SCHEMBL4734468 0.83 HTT (0.52) HTTSLC6A3CNR1MAPTTSHR
SCHEMBL4643990 0.83 PARP1 (0.40) HTTMAPTKDM4ERORCHSP90AA1
SCHEMBL4642110 0.81 KDM4E (0.40) HTTMAPTKDM4EHSP90AA1
SCHEMBL4734000 0.78 TSHR (0.47) HTTSLC6A3KCNH2HRH3TSHR
SCHEMBL4739680 0.77 TSHR (0.46) HTTSLC6A3KCNH2HRH3TSHR
SCHEMBL4640368 0.77 NOTUM (0.39) HTTMAPTKDM4EHSP90AA1
SCHEMBL14091785 0.75 ITGB2 (0.39) HTTNPC1RAB9A
SCHEMBL14099208 0.74 PARP1 (0.40) HTTMAPTKDM4ERORCHSP90AA1
SCHEMBL14161471 0.72 KDM4E (0.38) HTTMAPTKDM4EHSP90AA1NPC1
SCHEMBL3941222 0.72 HTT (0.51) HTTSLC6A3CNR1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (1 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HTT 358/4885SLC6A3 1239/4885KCNH2 565/4885

“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.