SCHEMBL1463350

SCHEMBL1463350

O=C(NC(CCO)c1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 3/20 0.52
CTSL P07711 1/20 0.52
CTSS P25774 1/20 0.52
ATM Q13315 2/20 0.50
CYP3A4 P08684 8/20 0.49
TSHR P16473 6/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CASP1 P29466 2/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TACR1 P25103 1/20 0.48
LMNA P02545 1/20 0.48
KLK1 P06870 1/20 0.47

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
SCHEMBL16201456 1.00 CTRB1 (0.52) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL4665558 0.88 CTRB1 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7134978 0.88 CTRB1 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL4998172 0.88 CTRB1 (0.55) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL13719248 0.87 CNR2 (0.49) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL7387408 0.86 CASP1 (0.50) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL1463820 0.85 ALDH1A1 (0.49) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL29423269 0.84 TP53 (0.48) CTRB1ALDH1A1CYP1A2ATMCYP3A4
SCHEMBL23006720 0.84 CTRB1 (0.57) CTRB1ALDH1A1CYP1A2CTSLCTSS
SCHEMBL10979333 0.84 CTRB1 (0.54) CTRB1ALDH1A1CYP1A2CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
US-8871760-B2 [1,2,4]triazolo[3,4-C][1,4]oxazines as P2X7 modulators ROCHE PALO ALTO LLC (US) 2014-10-28 US disclosed
EP-2480545-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
WO-2011033055-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-24 WO disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 US disclosed
US-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS BROTHERTON-PLEISS CHRISTINE E 2011-03-24 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-20110071143-A1 FUSED TRIAZOLE AMINES AS P2X7 MODULATORS P2RX3, P2RX7, P2RX1 CTRB1 1985/4885ALDH1A1 1900/4885CYP1A2 621/4885

“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.