SCHEMBL3338705

SCHEMBL3338705

CCCc1c(F)ccc(C=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ERN1 O75460 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL7703634 0.79 ERN1 (0.50) ERN1CYSLTR2CYSLTR1
SCHEMBL7044769 0.79 ERN1 (0.42) ERN1ALDH1A1MEN1KMT2ACYSLTR2
SCHEMBL14237093 0.75 ERN1 (0.48) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL6495322 0.73 TDP1 (0.46) TDP1ERN1MEN1KMT2A
SCHEMBL21121085 0.72 TDP1 (0.42) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL29954698 0.72 TDP1 (0.42) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL15514624 0.71 TDP1 (0.45) TDP1ERN1MEN1KMT2AGAA
SCHEMBL28127127 0.71 ERN1 (0.38) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL267560 0.70 ERN1 (0.35) TDP1ERN1ALDH1A1MEN1KMT2A
SCHEMBL7046194 0.69 SMN1; SMN2 (0.43) TDP1ERN1ALDH1A1MEN1KMT2A

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-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 TDP1 3514/4885ERN1 1192/4885ALDH1A1 2416/4885

“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.