SCHEMBL16319369

SCHEMBL16319369

COC(=O)CC(c1ccc(F)c(O)c1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRB3 P13945 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
FFAR1 O14842 14/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
FAAH O00519 1/20 0.37
MGLL Q99685 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
SCHEMBL15972558 0.86 FFAR1 (0.38) FFAR1ALDH1A1MAPTHTT
SCHEMBL16318969 0.86 PDE4A (0.44) FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL15972559 0.86 FFAR1 (0.38) FFAR1ALDH1A1MAPTHTT
SCHEMBL17408847 0.84 TUBB4A (0.42) FFAR1MAPT
SCHEMBL16319076 0.84 TUBB4A (0.42) FFAR1MAPT
SCHEMBL30533371 0.84 FFAR1 (0.39) FFAR1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL17413839 0.82 TYR (0.48) FFAR1ALDH1A1MAPTHTT
SCHEMBL15973236 0.81 ADRB2 (0.36) FFAR1SLC6A3ALDH1A1MAPTHTT
SCHEMBL17493566 0.81 ADRB2 (0.46) ADRB1ADRB3FFAR1
SCHEMBL13715262 0.80 FFAR1 (0.48) FFAR1ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 ADRB1 19/4885ADRA2A 95/4885ADRB3 90/4885

“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.