SCHEMBL25688490

SCHEMBL25688490

Cc1ccccc1Cn1cnc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.49
C5AR1 P21730 4/20 0.43
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDK2 Q15119 1/20 0.40
MAPT P10636 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL20818431 0.87 TRPC5 (0.47) P2RX3HDAC1HDAC6PDK2
SCHEMBL30476345 0.87 TRPC5 (0.47) P2RX3HDAC1HDAC6PDK2
SCHEMBL29875887 0.86 P2RX3 (0.53) P2RX3HDAC1HDAC6PTGDR2
SCHEMBL25280265 0.85 P2RX3 (0.45) P2RX3GRM5GRM1HDAC1HDAC6
SCHEMBL20831355 0.84 P2RX3 (0.46) P2RX3GRM5GRM1MAPT
SCHEMBL25689217 0.84 P2RX3 (0.44) P2RX3C5AR1GRM5GRM1MAPT
SCHEMBL20831354 0.84 P2RX3 (0.44) P2RX3GRM5GRM1MAPT
SCHEMBL20831353 0.83 P2RX3 (0.43) P2RX3GRM5GRM1MAPT
SCHEMBL20831356 0.83 P2RX3 (0.45) P2RX3GRM5GRM1MAPT
SCHEMBL25688489 0.82 HDAC1 (0.42) P2RX3C5AR1GRM5GRM1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF GFB (ABC), LLC 2023-06-29 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-20230203028-A1 PYRIDAZINONES AND METHODS OF USE THEREOF PDXK, ATP6V1B1, REN P2RX3 370/4885C5AR1 2303/4885GRM5 1347/4885

“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.