SCHEMBL1409539

SCHEMBL1409539

O=C(O)CCC1CCC(c2cccc(C(F)(F)F)c2)O1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.47
▸ HTR1A P08908 2/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ HTR2C P28335 3/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ RORC P51449 5/20 0.40
▸ CTNNB1 P35222 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ USP5 P45974 1/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL1410779 0.87 LMNA (0.41) FFAR1SLC6A2SLC6A4SLC6A3RORC
SCHEMBL1410139 0.87 LMNA (0.41) FFAR1SLC6A2SLC6A4SLC6A3RORC
SCHEMBL1410337 0.87 LMNA (0.41) FFAR1SLC6A2SLC6A4SLC6A3RORC
SCHEMBL1410321 0.85 ALDH1A1 (0.46) PSEN1RORC
SCHEMBL28010162 0.83 HTR1A (0.45) FFAR1HTR1APSEN1HTR2CSLC6A2
SCHEMBL1410366 0.82 FFAR1 (0.47) FFAR1SLC6A2SLC6A4SLC6A3RORC
SCHEMBL12209968 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL1410431 0.81 FFAR4 (0.40) FFAR1PSEN1SLC6A2SLC6A4SLC6A3
SCHEMBL10178352 0.80 CYP2A6 (0.52) HTR1APSEN1HTR2CSLC6A2SLC6A4
SCHEMBL10178992 0.80 CYP2A6 (0.52) HTR1APSEN1HTR2CSLC6A2SLC6A4

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 8 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-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US 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
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — 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 FFAR1 4753/4885HTR1A 2259/4885PSEN1 4620/4885

“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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