SCHEMBL1409489

SCHEMBL1409489

CCOC(=O)CCC1CCC(c2cccc(OC)c2C(F)(F)F)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ DHFR P00374 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ RORC P51449 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1410336 0.88 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3RORC
SCHEMBL1410641 0.84 KDM4E (0.38) SLC6A2SLC6A4SLC6A3TDP1HSD17B10
SCHEMBL1410140 0.82 KDM4E (0.39) SLC6A2SLC6A4SLC6A3TDP1GAA
SCHEMBL1410352 0.78 KMT2A (0.41) TDP1HSD17B10MAPTGAAALDH1A1
SCHEMBL1409948 0.78 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3DRD2RORC
SCHEMBL1410321 0.76 ALDH1A1 (0.46) MAPTGAAALDH1A1POLBDRD2
SCHEMBL1410548 0.73 RORC (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL1410134 0.73 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3TDP1ALDH1A1
SCHEMBL1410194 0.73 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3TDP1ALDH1A1
SCHEMBL1409454 0.71 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L SLC6A2 192/4885SLC6A4 293/4885SLC6A3 241/4885

“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.

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