SCHEMBL3608355

SCHEMBL3608355

N#Cc1ccc(N2CCC(CCO)C2)c2ccsc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.34
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
JAK2 O60674 1/20 0.31
SYK P43405 1/20 0.31
CHRM4 P08173 1/20 0.31
PDE5A O76074 2/20 0.30
DPP4 P27487 2/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL4235450 0.93 AR (0.38) ARCHRM4PDE5A
SCHEMBL3593215 0.87 DRD2 (0.32) ARDRD2DRD3
SCHEMBL3600268 0.82 AR (0.55) AR
SCHEMBL3598669 0.82 AR (0.38) ARJAK2DPP4
SCHEMBL3604859 0.74 AR (0.56) AR
SCHEMBL3611354 0.74 AR (0.61) AR
SCHEMBL3600644 0.71 AR (0.68) AR
Hydrochloric Acid SCHEMBL3605264 0.71 AR (0.56) AR
SCHEMBL3604916 0.71 AR (0.37) ARCHRM4DRD2DRD3
SCHEMBL3612384 0.69 AR (0.66) 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 1/4885RPS6KB1 2474/4885AKT1 2453/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 AR 1/4885RPS6KB1 2436/4885AKT1 1876/4885

“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.