SCHEMBL4178348

SCHEMBL4178348

COc1nnc(C(C)C)n1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 5/20 0.40
DHODH Q02127 1/20 0.39
CTRC Q99895 1/20 0.39
NR4A1 P22736 1/20 0.38
RXRA P19793 2/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
RXRB P28702 1/20 0.36
FABP1 P07148 1/20 0.36
TYMS P04818 1/20 0.35
CNR2 P34972 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 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
SCHEMBL2274756 0.86 P2RY14 (0.42) P2RY14DHODHCTRCNR4A1RXRA
SCHEMBL3720193 0.86 P2RY14 (0.42) P2RY14DHODHCTRCNR4A1RXRA
SCHEMBL2277151 0.79 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL2271062 0.79 CYP11B1 (0.39) CNR2P2RX3P2RX2
SCHEMBL3720197 0.77 P2RX3 (0.35) P2RY14P2RX3P2RX2
SCHEMBL4177211 0.76 P2RY14 (0.42) P2RY14DHODHCTRCNR4A1RXRA
SCHEMBL4051058 0.76 P2RX3 (0.46) P2RY14DHODHCTRCRXRARXRB
SCHEMBL2278513 0.74 DHODH (0.42) P2RY14DHODHCTRCNR4A1RXRA
SCHEMBL3727443 0.74 DHODH (0.41) P2RY14DHODHCTRCNR4A1RXRA
SCHEMBL4173515 0.74 CTRC (0.43) P2RY14DHODHCTRCRXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS ROCHE PALO ALTO LLC (US) 2015-03-05 US disclosed
EP-2607356-A1 Triazole-substituted arylamide derivatives and their use as P2x3 and /or P2x2/3 purinergic receptor antagonists F. Hoffmann-La Roche AG (CH) 2013-06-26 EP disclosed
US-8440708-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-05-14 US disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 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 (2 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-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 P2RY14 15/4885DHODH 3983/4885CTRC 2408/4885
US-20150065521-A1 TRIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 P2RY14 14/4885DHODH 4213/4885CTRC 2972/4885

“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.