SCHEMBL89529

SCHEMBL89529

COCCCN1C(=O)C(C)(C)Oc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)Nc4ccccc4OC)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
REN P00797 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 2/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TGFBR1 P36897 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 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
SCHEMBL89516 0.93 REN (0.42) TDP1RENMEN1KMT2AEPHX2
SCHEMBL89867 0.93 REN (0.42) TDP1RENMEN1KMT2APOLB
SCHEMBL89744 0.91 REN (0.42) TDP1RENMEN1KMT2APOLB
SCHEMBL89127 0.89 REN (0.41) TDP1RENMEN1KMT2AEPHX2
SCHEMBL1911409 0.89 REN (0.44) TDP1RENMEN1KMT2AEPHX2
SCHEMBL89822 0.89 REN (0.44) TDP1RENMEN1KMT2AEPHX2
SCHEMBL90131 0.88 REN (0.43) RENMEN1KMT2AEPHX2POLB
SCHEMBL8235282 0.88 REN (0.42) TDP1RENMEN1KMT2AEPHX2
SCHEMBL90604 0.88 REN (0.41) TDP1RENMEN1KMT2APOLB
SCHEMBL89938 0.88 REN (0.41) TDP1RENMEN1KMT2AALDH1A1

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 TDP1 2580/4885REN 1/4885MEN1 2336/4885

“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.