SCHEMBL3070090

SCHEMBL3070090

COCCCn1nc(CCl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.46
ALDH1A1 P00352 1/20 0.43
MPO P05164 3/20 0.40
GLS O94925 1/20 0.40
SCN8A Q9UQD0 1/20 0.39
GAA P10253 1/20 0.39
PLK1 P53350 1/20 0.39
CNR2 P34972 2/20 0.38
SLC16A3 O15427 1/20 0.38
CNR1 P21554 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4E B2RXH2 2/20 0.37
BCHE P06276 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GUCY1B2 O75343 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL13131353 0.87 REN (0.47) RENALDH1A1MPOGLSGAA
SCHEMBL2807490 0.87 REN (0.49) RENALDH1A1MPOGLSGAA
SCHEMBL4256101 0.81 GLS (0.62) RENALDH1A1MPOGLSGAA
SCHEMBL30860204 0.79 SCN9A (0.47) RENALDH1A1MPOGLSGAA
SCHEMBL2809642 0.78 REN (0.48) RENALDH1A1SCN8ACNR2CNR1
SCHEMBL2809192 0.76 ALDH1A1 (0.46) RENALDH1A1MPOGLSGAA
SCHEMBL15882017 0.75 CNR1 (0.50) CNR2CNR1KDM4CKDM4ETSHR
SCHEMBL17324730 0.75 CNR1 (0.48) RENALDH1A1CNR2CNR1KDM4C
SCHEMBL3071892 0.74 ELANE (0.53) CNR2CNR1KDM4CKDM4EKCNH2
SCHEMBL19675201 0.73 KMT2A (0.46) RENALDH1A1MPOGLSSLC16A3

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-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 REN 1/4885ALDH1A1 142/4885MPO 296/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885ALDH1A1 142/4885MPO 296/4885

“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.