SCHEMBL3069110

SCHEMBL3069110

C=C(C)c1cc(C(=O)OC)cc(-c2ccc(C)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
P2RX3 P56373 4/20 0.39
P2RX2 Q9UBL9 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1I2 O75469 2/20 0.38
CNR2 P34972 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP46A1 Q9Y6A2 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
SCHEMBL1495784 0.92 TDP1 (0.49) TDP1ATMP2RX3P2RX2CYP3A4
SCHEMBL3066007 0.86 KDM4E (0.48) TDP1ATMP2RX3P2RX2CYP3A4
SCHEMBL7947936 0.86 CNR2 (0.48) TDP1ATMP2RX3P2RX2CYP3A4
SCHEMBL3061078 0.86 MEN1 (0.46) ATMMAPTMEN1LMNAKMT2A
SCHEMBL3053361 0.85 LDHA (0.43) P2RX3P2RX2CYP3A4CYP2A6CCR1
SCHEMBL1071880 0.85 TDP1 (0.40) TDP1ATMP2RX3P2RX2CYP3A4
SCHEMBL3058393 0.84 BAZ2B (0.48) TDP1ATMP2RX3P2RX2NR1I2
SCHEMBL1495521 0.84 CA12 (0.51) TDP1ATMP2RX3P2RX2CYP3A4
SCHEMBL3067384 0.83 NR1I2 (0.41) TDP1ATMP2RX3P2RX2CYP3A4
SCHEMBL1495743 0.83 RXFP1 (0.45) TDP1ATMP2RX3P2RX2CYP3A4

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-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
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

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 TDP1 1765/4885ATM 4263/4885P2RX3 1/4885

“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.