SCHEMBL3601665

SCHEMBL3601665

N#Cc1ccc(N2CCCCC2)c2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.56
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 3/20 0.42
CDC42BPB Q9Y5S2 3/20 0.42
CDC42BPA Q5VT25 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL3604557 0.98 AR (0.57) ARALDH1A1LMNAMAPTHTT
SCHEMBL13215884 0.78 TSHR (0.40) ARALDH1A1LMNAMAPTHTT
SCHEMBL3606687 0.74 AR (0.97) ARALDH1A1LMNA
SCHEMBL3609515 0.74 AR (0.97) ARALDH1A1LMNA
SCHEMBL31388194 0.73 AR (0.62) ARALDH1A1LMNAMAPTHTT
SCHEMBL7524105 0.73 AR (0.62) ARALDH1A1LMNAMAPTHTT
SCHEMBL7528396 0.73 AR (0.62) ARALDH1A1LMNAMAPTHTT
SCHEMBL1660394 0.73 AR (0.62) ARALDH1A1LMNAMAPTHTT
SCHEMBL7580319 0.72 L3MBTL1 (0.62) ARALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL3597770 0.72 AR (0.93) ARALDH1A1LMNA

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 1/4885ALDH1A1 1763/4885LMNA 4612/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 AR 1/4885ALDH1A1 1488/4885LMNA 4569/4885

“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.