SCHEMBL877018

SCHEMBL877018

CC1(c2cccc(C=O)n2)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.34
TERT O14746 12/20 0.33
ALDH1A1 P00352 1/20 0.32
TYMS P04818 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL14586836 0.83 TSHR (0.35) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL13622417 0.79 SMN1; SMN2 (0.31) LMNAGAAMAPTSMN1; SMN2TSHR
SCHEMBL14722574 0.77 CCR1 (0.40) CCR1ALDH1A1LMNAGAAMAPT
SCHEMBL878332 0.76
SCHEMBL878331 0.76
SCHEMBL9827172 0.75 TERT (0.34) TERTSMN1; SMN2
SCHEMBL876768 0.75 SMN1; SMN2 (0.31) LMNAGAAMAPTSMN1; SMN2TSHR
SCHEMBL16416755 0.75 MAPT (0.37) LMNAGAAMAPTSMN1; SMN2TSHR
SCHEMBL876816 0.72 MEN1 (0.37) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL876817 0.72 MEN1 (0.37) ALDH1A1LMNAGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
US-20140309244-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 US disclosed
CN-101903378-B Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2014-03-12 CN disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 EP disclosed
CN-103124723-A Novel microbiocides SYNGENTA PARTICIPATIONS AG 2013-05-29 CN disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 WO disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
CN-101903378-A Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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 (3 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-20140309244-A1 NOVEL MICROBIOCIDES MSR1, C3AR1, CD209 CCR1 107/4885TERT 4379/4885ALDH1A1 1154/4885
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 CCR1 3836/4885TERT 3456/4885ALDH1A1 96/4885
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R CCR1 4024/4885TERT 1977/4885ALDH1A1 358/4885

“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.