SCHEMBL1480512

SCHEMBL1480512

CCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1cccc(-c2cccc(OCCCC(=O)OC)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.42
CYSLTR1 Q9Y271 7/20 0.42
MAPT P10636 1/20 0.40
AVPR1B P47901 2/20 0.37
CNR1 P21554 1/20 0.35
BACE1 P56817 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
P2RY12 Q9H244 2/20 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
SCHEMBL1480516 1.00 CYSLTR2 (0.42) CYSLTR2CYSLTR1MAPTAVPR1BCNR1
SCHEMBL1481636 0.90 MAPT (0.43) CYSLTR2CYSLTR1MAPTCNR1CYP1A2
SCHEMBL1481638 0.90 MAPT (0.43) CYSLTR2CYSLTR1MAPTCNR1CYP1A2
SCHEMBL1481004 0.90 MAPT (0.38) CYSLTR2CYSLTR1MAPTAVPR1BCNR1
SCHEMBL1481006 0.90 MAPT (0.38) CYSLTR2CYSLTR1MAPTAVPR1BCNR1
SCHEMBL1480600 0.89 MAPT (0.41) CYSLTR2CYSLTR1MAPTAVPR1BCNR1
SCHEMBL1481707 0.89 MAPT (0.41) CYSLTR2CYSLTR1MAPTAVPR1BCNR1
SCHEMBL1481302 0.89 MAPT (0.39) CYSLTR2CYSLTR1MAPTAVPR1BCNR1
SCHEMBL1480640 0.89 MAPT (0.39) CYSLTR2CYSLTR1MAPTAVPR1BCNR1
SCHEMBL1481305 0.89 MAPT (0.39) CYSLTR2CYSLTR1MAPTAVPR1BCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ CYSLTR2 2986/4885CYSLTR1 2945/4885MAPT 3558/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ CYSLTR2 2986/4885CYSLTR1 2945/4885MAPT 3558/4885

“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.