SCHEMBL14044153

SCHEMBL14044153

COc1cc(C(C)C)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.44
P2RX2 Q9UBL9 2/20 0.44
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PPOX P50336 2/20 0.40
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
RAB9A P51151 2/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
THRB P10828 1/20 0.36
RORC P51449 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.35
STAT3 P40763 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
SCHEMBL27263256 0.92 GAA (0.42) P2RX3P2RX2NPC1GAATAAR1
SCHEMBL8375911 0.85 GAA (0.40) P2RX3P2RX2NPC1GAATAAR1
SCHEMBL29328271 0.85 P2RX3 (0.44) P2RX3P2RX2NPC1GAATAAR1
SCHEMBL5166833 0.84 P2RX3 (0.45) P2RX3P2RX2GAAMAPTPOLB
SCHEMBL14039591 0.82 NPC1 (0.52) P2RX3P2RX2NPC1GAATAAR1
SCHEMBL21142303 0.82 GAA (0.48) P2RX3P2RX2GAAMAPTPOLB
SCHEMBL16940691 0.79 LMNA (0.43) MAPTLMNATP53HPGDSMN1; SMN2
SCHEMBL13178784 0.78 GAA (0.46) P2RX3P2RX2NPC1GAATAAR1
SCHEMBL12190518 0.78 P2RX3 (0.48) P2RX3P2RX2GAAPOLBRAB9A
SCHEMBL13059718 0.78 GAA (0.48) P2RX3P2RX2GAAMAPTPOLB

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
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2021-02-25 US disclosed
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
WO-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 WO disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 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 (3 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-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 P2RX3 159/4885P2RX2 239/4885NPC1 1260/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 P2RX3 159/4885P2RX2 239/4885NPC1 1260/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 P2RX3 115/4885P2RX2 94/4885NPC1 2030/4885

“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.