SCHEMBL3063194

SCHEMBL3063194

Cc1ccc(-c2cc(C=O)cc(C(=O)NC(C)C)c2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
KDM1A O60341 3/20 0.47
HDAC6 Q9UBN7 2/20 0.47
AKR1C3 P42330 2/20 0.45
ERN1 O75460 2/20 0.45
P2RX3 P56373 3/20 0.44
P2RX2 Q9UBL9 3/20 0.44
GABRA5 P31644 1/20 0.43
AKR1C4 P17516 1/20 0.41
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTGS2 P35354 1/20 0.39
KCNA3 P22001 1/20 0.38
ANPEP P15144 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL3068683 0.89 HDAC1 (0.46) HDAC1KDM1AHDAC6AKR1C3ERN1
SCHEMBL16510107 0.82 P2RX3 (0.45) HDAC1KDM1AHDAC6AKR1C3ERN1
SCHEMBL13092863 0.80 P2RX3 (0.44) HDAC1KDM1AHDAC6AKR1C3ERN1
SCHEMBL13092867 0.78 P2RX3 (0.42) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092865 0.78 P2RX3 (0.44) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092857 0.78 P2RX3 (0.42) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092869 0.77 GABRA5 (0.42) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL3069019 0.77 P2RX3 (0.44) AKR1C3P2RX3P2RX2GABRA5AKR1C4
SCHEMBL13092862 0.77 P2RX3 (0.42) HDAC1KDM1AHDAC6AKR1C3ERN1
SCHEMBL13092864 0.77 P2RX3 (0.43) HDAC1KDM1AHDAC6AKR1C3P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
EP-2215049-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2010-08-11 EP disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 WO disclosed
WO-2009058298-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK & CO., INC. (US) 2009-05-07 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HDAC1 3458/4885KDM1A 3692/4885HDAC6 2816/4885

“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.