SCHEMBL90229

SCHEMBL90229

COC(=O)[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccccc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 3/20 0.42
HTRA1 Q92743 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL89862 0.91 RECQL (0.53) RECQLALDH1A1SMN1; SMN2TP53USP2
SCHEMBL89157 0.86 CCR5 (0.43) ATM
SCHEMBL27022359 0.82 RECQL (0.61) RECQLALDH1A1SMN1; SMN2TP53POLB
SCHEMBL20116389 0.81 RECQL (0.50) RECQLALDH1A1SMN1; SMN2TP53RXFP1
SCHEMBL88958 0.81 MAPK1 (0.45) ALDH1A1ATM
SCHEMBL89937 0.81 RORC (0.43)
SCHEMBL13461241 0.79 NR1H2 (0.51) RECQLALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL10283547 0.79 NR1H2 (0.51) RECQLALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL89018 0.79 NR1H2 (0.51) RECQLALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL4667718 0.79 NR1H2 (0.51) RECQLALDH1A1SMN1; SMN2USP2MAPT

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 6 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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 RECQL 657/4885ALDH1A1 38/4885SMN1; SMN2 1867/4885

“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.