SCHEMBL347185

SCHEMBL347185

Cn1ccc2c(-c3ccc(F)cc3)cc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
PPARA Q07869 1/20 0.39
MAP4K4 O95819 1/20 0.39
SCN9A Q15858 6/20 0.39
PTGS2 P35354 1/20 0.38
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
SCN5A Q14524 2/20 0.37
GRM2 Q14416 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL348052 0.85 PTGS1 (0.45) IDO1TDO2SCN9ASCN5AGRM2
SCHEMBL121650 0.81 IDO1 (0.58) BCL2L1BADIDO1TDO2SCN9A
SCHEMBL26581107 0.74 SLC22A12 (0.40)
SCHEMBL10154933 0.74 SCN9A (0.47) SCN9APTGS2MAPK14
SCHEMBL19100569 0.73 TTR (0.44) KDM4C
SCHEMBL29856013 0.73 TTR (0.44) KDM4C
SCHEMBL16672322 0.72 BCL2L1 (0.47) BCL2L1BADIDO1TDO2KDM4A
SCHEMBL121418 0.72 IDO1 (0.58) IDO1TDO2SCN9ASCN5A
SCHEMBL23809345 0.71 SLC22A12 (0.42)
SCHEMBL13307564 0.70 IMPDH2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 BCL2L1 3209/4885BAD 821/4885IDO1 2024/4885

“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.