SCHEMBL3058648

SCHEMBL3058648

OC1CCC(C(F)(F)F)(C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL17854856 0.85 SLC6A4 (0.34) SLC6A4SLC6A3
SCHEMBL18236376 0.74
SCHEMBL22292689 0.74
SCHEMBL26906347 0.74 TSHR (0.33) TSHRSLC6A4SLC6A3
SCHEMBL19454778 0.74
SCHEMBL13232053 0.74 TSHR (0.33) TSHR
SCHEMBL19480787 0.74
SCHEMBL3459460 0.73
SCHEMBL26910501 0.73
SCHEMBL19484451 0.72 ALDH1A1 (0.31)

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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
EP-2148869-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO 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-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 TSHR 1056/4885SLC6A4 1273/4885SLC6A3 1040/4885

“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.