SCHEMBL3066010

SCHEMBL3066010

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.54
P2RX3 P56373 8/20 0.45
P2RX2 Q9UBL9 8/20 0.45
NR1I2 O75469 3/20 0.43
P2RX7 Q99572 2/20 0.43
CYP2C9 P11712 1/20 0.43
LDHA P00338 1/20 0.42
CNR1 P21554 1/20 0.42
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL1495762 0.90 LDHA (0.50) P2RX3P2RX2LDHACYP3A4CYP2A6
SCHEMBL3071034 0.86 BAZ2B (0.42) BAZ2BP2RX3P2RX2NR1I2P2RX7
SCHEMBL3058393 0.86 BAZ2B (0.48) BAZ2BP2RX3P2RX2NR1I2P2RX7
SCHEMBL3066007 0.83 KDM4E (0.48) P2RX3P2RX2NR1I2LDHAKDM4C
SCHEMBL24365557 0.83 BAZ2B (0.60) BAZ2BP2RX7KDM5AKDM4CKDM5B
SCHEMBL31145174 0.83 BAZ2B (0.60) BAZ2BP2RX7KDM5AKDM4CKDM5B
SCHEMBL3053335 0.82 BAZ2B (0.44) BAZ2BP2RX3P2RX2NR1I2P2RX7
SCHEMBL3053361 0.82 LDHA (0.43) P2RX3P2RX2NR1I2CYP2C9LDHA
SCHEMBL3474997 0.81 DHODH (0.54) P2RX3P2RX2LDHAKDM4CCYP3A4
SCHEMBL12409679 0.81 BAZ2B (0.65) BAZ2BCNR1CYP3A4CYP2A6

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 BAZ2B 2384/4885P2RX3 1/4885P2RX2 3/4885

“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.