SCHEMBL89812

SCHEMBL89812

CCO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc3c(c2)N(CCCOC)C(=O)C(C)(C)O3)C2CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.54
ALDH1A1 P00352 6/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 4/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL90650 0.99 REN (0.54) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89221 0.93 REN (0.53) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90240 0.91 REN (0.48) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89242 0.91 REN (0.53) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89695 0.90 REN (0.53) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89686 0.90 REN (0.53) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89552 0.89 REN (0.49) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL89840 0.89 REN (0.55) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL90633 0.88 REN (0.55) RENALDH1A1POLBGAASMN1; SMN2
SCHEMBL8235431 0.88 REN (0.57) RENALDH1A1POLBGAASMN1; 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 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 1/4885ALDH1A1 38/4885POLB 589/4885

“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.