SCHEMBL3604916

SCHEMBL3604916

N#Cc1ccc(N2CCC(CCO)CC2)c2ccoc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.37
CHRM4 P08173 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CSF1R P07333 2/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL3601452 0.81 SMN1; SMN2 (0.37) ARCHRM4SMN1; SMN2CSF1R
SCHEMBL3611354 0.80 AR (0.61) AR
SCHEMBL4235450 0.77 AR (0.38) ARCHRM4SMN1; SMN2CSF1R
SCHEMBL7527672 0.75 CHRM4 (0.53) CHRM4SMN1; SMN2CSF1RDRD2DRD3
SCHEMBL5858257 0.74 GAA (0.48) ARCHRM4SMN1; SMN2CSF1R
SCHEMBL3600268 0.73 AR (0.55) AR
SCHEMBL3605320 0.73 AR (0.58) AR
SCHEMBL3608355 0.71 AR (0.34) ARCHRM4DRD2DRD3
SCHEMBL3605550 0.69 AR (0.64) AR
SCHEMBL3607330 0.69 AR (0.64) AR

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
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 AR 1/4885CHRM4 351/4885SMN1; SMN2 4057/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 AR 1/4885CHRM4 396/4885SMN1; SMN2 3200/4885

“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.