SCHEMBL90610

SCHEMBL90610

CNc1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.55
CYP2C9 P11712 5/20 0.44
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 3/20 0.43
POLB P06746 6/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL89423 0.89 REN (0.55) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL89717 0.88 REN (0.52) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL90462 0.86 REN (0.51) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL89417 0.84 REN (0.59) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL3072690 0.84 REN (0.55) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL89400 0.83 REN (0.62) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL15087927 0.83 REN (0.56) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL89662 0.83 REN (0.48) RENCYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL2241026 0.82 ALDH1A1 (0.54) RENCYP2C9CYP1A2CYP2C19POLB
SCHEMBL2808804 0.81 REN (0.55) RENCYP2C9CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885CYP2C9 211/4885CYP2D6 479/4885

“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.