SCHEMBL463333

SCHEMBL463333

Cc1ccc(-c2cc(C(=O)O)cn3c(-c4ccccc4)nnc23)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
LDHA P00338 2/20 0.41
P2RX3 P56373 7/20 0.38
P2RX2 Q9UBL9 7/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
PDE10A Q9Y233 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL453612 0.87 BRD9 (0.37) GRM5P2RX3P2RX2PDE10AGABRA1
SCHEMBL455326 0.84 NR1H2 (0.41) KDM5AKDM4CKDM5BMAPTDHODH
SCHEMBL451832 0.79 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL476531 0.74 ABL1 (0.41) NPC1SMN1; SMN2MAPT
SCHEMBL455880 0.71 BRD9 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24365554 0.70 LDHA (0.56) LDHACYP3A4CYP2A6DHODH
SCHEMBL31145138 0.70 LDHA (0.56) LDHACYP3A4CYP2A6DHODH
SCHEMBL3473972 0.70 LDHA (0.55) LDHACYP3A4CYP2A6DHODH
SCHEMBL451880 0.69 TACR3 (0.45) GRM5KDM5AKDM4CKDM5BNPC1
SCHEMBL1495762 0.67 LDHA (0.50) LDHAP2RX3P2RX2CYP3A4CYP2A6

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
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 GRM5 132/4885LDHA 3593/4885P2RX3 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.