SCHEMBL13178795

SCHEMBL13178795

COc1cc(C(C)C)c(CNC(C)C)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.39
P2RX2 Q9UBL9 2/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
LPAR1 Q92633 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CASR P41180 1/20 0.35
PGK1 P00558 1/20 0.35
GSK3B P49841 1/20 0.35
MAP4K2 Q12851 1/20 0.35
POLB P06746 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
SCHEMBL14043918 0.86 GAA (0.48) P2RX3P2RX2TAAR1GAAPOLB
SCHEMBL13683170 0.83 ALDH1A1 (0.50) P2RX3P2RX2TAAR1LPAR1ALDH1A1
SCHEMBL16200311 0.83 MAPT (0.42) LMNATAAR1ALDH1A1GAANPC1
SCHEMBL13178799 0.80 KMT2A (0.55) ALDH1A1GAAPOLB
SCHEMBL13178789 0.80 MTNR1A (0.49) LMNALPAR1ALDH1A1
SCHEMBL13184317 0.80 MEN1 (0.47) P2RX3P2RX2ALDH1A1GAAPOLB
SCHEMBL13683163 0.79 THRB (0.46) P2RX3P2RX2TAAR1LPAR1ALDH1A1
SCHEMBL13178788 0.79 TAAR1 (0.49) P2RX3P2RX2TAAR1GAANPC1
SCHEMBL13178792 0.77 CYP2D6 (0.44) P2RX3P2RX2LPAR1ALDH1A1
SCHEMBL13178790 0.76 SLC6A4 (0.40) P2RX3P2RX2TAAR1ALDH1A1GAA

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 614/4885LMNA 2708/4885

“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.