SCHEMBL89717

SCHEMBL89717

COCCCN1C(=O)C(C)(C)Oc2ccc(NC(C)C)cc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.52
POLB P06746 6/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.43
CYP2C9 P11712 4/20 0.42
CYP2D6 P10635 3/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL90610 0.88 REN (0.55) RENPOLBKMT2AMEN1USP2
SCHEMBL89423 0.86 REN (0.55) RENPOLBKMT2AMEN1CYP2C9
SCHEMBL78623 0.83 REN (0.55) RENPOLBKMT2AMEN1USP2
SCHEMBL13089206 0.83 KMT2A (0.66) RENPOLBKMT2AMEN1USP2
SCHEMBL90462 0.83 REN (0.51) RENPOLBKMT2AMEN1CYP2C9
SCHEMBL89417 0.82 REN (0.59) RENPOLBKMT2AMEN1USP2
SCHEMBL3072690 0.81 REN (0.55) RENPOLBKMT2AMEN1USP2
SCHEMBL15087927 0.81 REN (0.56) RENPOLBKMT2AMEN1USP2
SCHEMBL89400 0.81 REN (0.62) RENPOLBKMT2AUSP2CYP2C9
SCHEMBL89662 0.80 REN (0.48) RENPOLBKMT2AMEN1CYP2C9

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 1/4885POLB 589/4885KMT2A 3129/4885

“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.