SCHEMBL20478673

SCHEMBL20478673

O=C(O)C1CCCc2cccc(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.45
TAS1R1 Q7RTX1 5/20 0.45
TAS1R2 Q8TE23 4/20 0.45
P2RX7 Q99572 2/20 0.44
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.40
FABP7 O15540 1/20 0.40
FABP5 Q01469 1/20 0.40
FABP4 P15090 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NOTUM Q6P988 1/20 0.39
HTR2C P28335 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
SCHEMBL20478857 0.87 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2P2RX7ALDH1A1
SCHEMBL15129434 0.87 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2P2RX7ALDH1A1
SCHEMBL3900421 0.81 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL9055286 0.81 HTT (0.36) ALDH1A1
SCHEMBL7537910 0.81 KDM4E (0.39) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20478916 0.78 HTT (0.43) TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL20478656 0.77 DRD4 (0.50) TAS1R3TAS1R1
SCHEMBL16395440 0.77 P2RX7 (0.42) TAS1R3TAS1R1TAS1R2P2RX7NOTUM
SCHEMBL16395306 0.77 P2RX7 (0.42) TAS1R3TAS1R1TAS1R2P2RX7NOTUM
SCHEMBL15129413 0.77 P2RX7 (0.42) TAS1R3TAS1R1TAS1R2P2RX7NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154519-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 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-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G TAS1R3 756/4885TAS1R1 738/4885TAS1R2 624/4885

“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.