SCHEMBL13178787

SCHEMBL13178787

COc1cc(C(C)C)c(C(C)N(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 3/20 0.39
NPC1 O15118 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
THRB P10828 1/20 0.34
RORC P51449 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL13178817 0.83 GLA (0.41) P2RX3P2RX2HTR2ASLC6A4KCNH2
SCHEMBL13683167 0.79 P2RX3 (0.43) P2RX3P2RX2GAANPC1POLB
SCHEMBL13683168 0.79 P2RX3 (0.47) P2RX3P2RX2GAANPC1POLB
SCHEMBL12781816 0.77 GAA (0.52) P2RX3P2RX2GAANPC1POLB
SCHEMBL14039591 0.77 NPC1 (0.52) P2RX3P2RX2GAANPC1POLB
SCHEMBL13184314 0.76 HTR2A (0.36) P2RX3P2RX2HTR2ASLC6A4KCNH2
SCHEMBL13178798 0.76 CYP2D6 (0.47) P2RX3P2RX2HTR2ASLC6A4KCNH2
SCHEMBL13184331 0.75 P2RX3 (0.41) P2RX3P2RX2GAANPC1POLB
SCHEMBL13178784 0.74 GAA (0.46) P2RX3P2RX2GAANPC1POLB
SCHEMBL28036369 0.74 GAA (0.50) P2RX3P2RX2HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 P2RX3 509/4885P2RX2 614/4885HTR2A 905/4885

“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.