SCHEMBL1410194

SCHEMBL1410194

CCOC(=O)CCC1CCC(c2cc(OC)cc(C(F)(F)F)c2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ XPO1 O14980 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ADCY8 P40145 1/20 0.34
▸ ADCY1 Q08828 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KLK7 P49862 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ USP2 O75604 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
SCHEMBL1410134 0.92 ALDH1A1 (0.38) SLC6A2SLC6A4SLC6A3SMN1; SMN2ALDH1A1
SCHEMBL1410504 0.88 RXRA (0.42) SLC6A2SLC6A4SLC6A3RXRARXRB
SCHEMBL1410365 0.88 FFAR1 (0.38) SLC6A2SLC6A4SLC6A3SMN1; SMN2ALDH1A1
SCHEMBL1410321 0.83 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RORCKCNN4
SCHEMBL1409948 0.79 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3DPP4RORC
SCHEMBL1410548 0.76 RORC (0.43) SLC6A2SLC6A4SLC6A3ALDH1A1RORC
SCHEMBL1410139 0.76 LMNA (0.41) SLC6A2SLC6A4SLC6A3RXRARXRB
SCHEMBL1410779 0.76 LMNA (0.41) SLC6A2SLC6A4SLC6A3RXRARXRB
SCHEMBL1410337 0.76 LMNA (0.41) SLC6A2SLC6A4SLC6A3RXRARXRB
SCHEMBL1410641 0.75 KDM4E (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1RORC

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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