SCHEMBL2816468

SCHEMBL2816468

CC(C)(c1ccccc1)c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.34
COMT P21964 1/20 0.34
NR3C2 P08235 3/20 0.33
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNN4 O15554 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL8987735 0.86 ESR1 (0.41) ALDH1A1ESR1ESR2CYP3A4MAPK1
SCHEMBL9872415 0.81 KCNN4 (0.35) ALDH1A1MAPK1COMTTAAR1ALOX15
SCHEMBL9911072 0.81 CNR1 (0.36) ALDH1A1ESR1ESR2CYP3A4KMT2A
SCHEMBL198144 0.80 KCNN4 (0.32) ALDH1A1KCNN4
SCHEMBL1820792 0.78 KDM4E (0.30) KDM4EMAPTKMT2A
Benzene SCHEMBL4593432 0.77 TSHR (0.38) ALDH1A1MAPT
SCHEMBL28872444 0.77 KCNN4 (0.48) KCNN4
Biphenyl SCHEMBL9539322 0.76 ALDH1A1 (0.33) ALDH1A1MAPK1KMT2AKCNN4
SCHEMBL7492959 0.73 SLC6A2 (0.41) ALDH1A1ESR1ESR2CYP3A4TAAR1
SCHEMBL8115695 0.72 KDM4E (0.35) ALDH1A1ALOX15KDM4EKMT2AKCNN4

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-20100249429-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN NOVARTIS PHARMACEUTICALS CORPORATION 2010-09-30 US disclosed
US-20090111995-A1 Process for the manufacture valsartan NOVARTIS AG (CH) 2009-04-30 US disclosed
EP-1546122-B8 PROCESS FOR THE MANUFACTURE OF VALSARTAN NOVARTIS AG (CH) 2008-05-28 EP disclosed
EP-1878729-A1 INTERMEDIATE FOR THE MANUFACTURE OF VALSARTAN Novartis AG (CH) 2008-01-16 EP disclosed
US-20060069268-A1 Process for the manufacture of valsartan DENNI-DISCHERT DONATIENNE 2006-03-30 US disclosed
EP-1546122-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004026847-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN NOVARTIS AG (CH) 2004-04-01 WO disclosed
US-5502191-A CYCLIZATION, INTERMEDIATES FOR ANGIOTENSIN II RECEPTOR ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-03-26 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 (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-20060069268-A1 Process for the manufacture of valsartan AGTR1, AGTR2, AGT ALDH1A1 882/4885ESR1 3395/4885ESR2 2374/4885
US-20100249429-A1 PROCESS FOR THE MANUFACTURE OF VALSARTAN AGTR1, AGTR2, AGT ALDH1A1 882/4885ESR1 3395/4885ESR2 2374/4885
US-20090111995-A1 Process for the manufacture valsartan AGTR1, AGTR2, AGT ALDH1A1 882/4885ESR1 3409/4885ESR2 2138/4885

“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.