SCHEMBL3068683

SCHEMBL3068683

C=Cc1cc(C(=O)NC(C)C)cc(-c2ccc(C)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
KDM1A O60341 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
AKR1C3 P42330 2/20 0.45
P2RX3 P56373 3/20 0.44
P2RX2 Q9UBL9 3/20 0.44
GABRA5 P31644 1/20 0.42
AKR1C4 P17516 1/20 0.41
ERN1 O75460 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTGS2 P35354 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
EIF2S1 P05198 1/20 0.38
EIF2AK3 Q9NZJ5 1/20 0.38
KCNA3 P22001 1/20 0.38
ANPEP P15144 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
SCHEMBL3063194 0.89 HDAC1 (0.47) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL3075053 0.84 HDAC1 (0.46) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL16510107 0.83 P2RX3 (0.45) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092862 0.83 P2RX3 (0.42) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL3072305 0.83 HDAC1 (0.46) HDAC1KDM1AHDAC6AKR1C3AKR1C4
SCHEMBL13092863 0.81 P2RX3 (0.44) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092865 0.80 P2RX3 (0.44) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092857 0.80 P2RX3 (0.42) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092867 0.80 P2RX3 (0.42) HDAC1KDM1AHDAC6AKR1C3P2RX3
SCHEMBL13092869 0.79 GABRA5 (0.42) 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 3 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
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

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.