SCHEMBL4517265

SCHEMBL4517265

N[C@@H]1C[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
FABP7 O15540 2/20 0.36
FABP5 Q01469 2/20 0.36
F10 P00742 2/20 0.36
REN P00797 1/20 0.36
CACNA1G O43497 1/20 0.35
EPHX2 P34913 1/20 0.35
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
TLR2 O60603 1/20 0.34
TLR1 Q15399 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CASP3 P42574 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL4517260 1.00 KMT2A (0.39) KMT2APOLBFABP7FABP5F10
SCHEMBL4503171 0.83 TLR2 (0.41) KMT2APOLBRENMDM4TP53
SCHEMBL4503172 0.83 TLR2 (0.41) KMT2APOLBRENMDM4TP53
SCHEMBL1913239 0.83 FABP5 (0.46) KMT2AFABP7FABP5F10EPHX2
SCHEMBL4502852 0.83 FABP5 (0.46) KMT2AFABP7FABP5F10EPHX2
Hydrochloric Acid SCHEMBL4913692 0.82 FABP5 (0.45) KMT2AFABP7FABP5F10EPHX2
Hydrochloric Acid SCHEMBL4913695 0.82 FABP5 (0.45) KMT2AFABP7FABP5F10EPHX2
SCHEMBL8249855 0.81 KMT2A (0.43) KMT2AFABP7FABP5F10EPHX2
SCHEMBL14428331 0.81 KMT2A (0.49) KMT2APOLBFABP7FABP5F10
SCHEMBL4509088 0.79 CFD (0.44) KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KMT2A 3192/4885POLB 748/4885FABP7 2008/4885

“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.