SCHEMBL862502

SCHEMBL862502

COc1ncccc1-c1c(C(=O)O)n(Cc2ccc(F)cc2F)c2c1=CC([C@H]1C[C@H]1C)CC=2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 2/20 0.35
NAAA Q02083 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
P2RX3 P56373 2/20 0.34
P2RX7 Q99572 2/20 0.32
ENPP2 Q13822 4/20 0.32
MLNR O43193 2/20 0.31
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
BRD4 O60885 1/20 0.31
KCNK3 O14649 2/20 0.31
KCNH2 Q12809 1/20 0.31
MARK2 Q7KZI7 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
SCHEMBL12655673 0.94 FFAR4 (0.34) GPR6NAAAFFAR4MLNRKCNH2
SCHEMBL862857 0.94 FFAR4 (0.34) GPR6NAAAFFAR4MLNRKCNH2
SCHEMBL862830 0.92 ALDH1A1 (0.34) GPR6NAAAFFAR4P2RX3P2RX7
SCHEMBL862252 0.90 SCN9A (0.38) GPR6NAAAP2RX3
SCHEMBL862471 0.84 SCN9A (0.38) GPR6
SCHEMBL12674113 0.83 CYP2C8 (0.40) KCNK3
SCHEMBL832326 0.77 GPR6 (0.37) GPR6NAAAFFAR4P2RX3P2RX7
SCHEMBL3693520 0.77 GPR6 (0.37) GPR6NAAAFFAR4P2RX3P2RX7
SCHEMBL12674114 0.77 CYP2C8 (0.40)
SCHEMBL12665694 0.76 FABP4 (0.41) GPR6P2RX3P2RX7ENPP2

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 GPR6 2012/4885NAAA 822/4885FFAR4 4134/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT GPR6 3272/4885NAAA 1465/4885FFAR4 4342/4885

“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.