SCHEMBL2969140

SCHEMBL2969140

O=C(O)C1CC1c1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
DRD3 P35462 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PTGIR P43119 1/20 0.44
FFAR1 O14842 2/20 0.41
OPRM1 P35372 1/20 0.40
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
FFAR4 Q5NUL3 5/20 0.39
EPHX2 P34913 1/20 0.38
RARA P10276 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
SCHEMBL17189661 1.00 DRD2 (0.44) DRD2DRD1TBXA2RDRD4DRD5
SCHEMBL17189662 0.88 HCRTR1 (0.41) OPRM1RXRARXRBRXRGFFAR4
SCHEMBL16585096 0.84 OPRM1 (0.41) OPRM1GAAPPARGPPARDPPARA
SCHEMBL16585095 0.84 OPRM1 (0.41) OPRM1GAAPPARGPPARDPPARA
SCHEMBL1208921 0.80 HTR2A (0.50) DRD2DRD1TBXA2RDRD4DRD5
SCHEMBL17103923 0.80 HTR2A (0.50) DRD2DRD1TBXA2RDRD4DRD5
SCHEMBL2961132 0.79 NR1I2 (0.45) DRD2DRD1TBXA2RDRD4DRD5
SCHEMBL324565 0.76 EPHX2 (0.51) FFAR1RXRARXRBRXRGEPHX2
SCHEMBL324564 0.76 EPHX2 (0.51) FFAR1RXRARXRBRXRGEPHX2
SCHEMBL19834337 0.76 TSHR (0.41) OPRM1RXRARXRBRXRGFFAR4

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-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US 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 (2 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 DRD2 2684/4885DRD1 2160/4885TBXA2R 1472/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 DRD2 2890/4885DRD1 2515/4885TBXA2R 1535/4885

“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.