SCHEMBL4502852

SCHEMBL4502852

NC1CC(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX2 P34913 1/20 0.39
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TSHR P16473 1/20 0.36
OPRD1 P41143 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP3 P42574 1/20 0.35

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
SCHEMBL1913239 1.00 FABP5 (0.46) FABP5FABP7KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4913695 0.99 FABP5 (0.45) FABP5FABP7KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4913692 0.99 FABP5 (0.45) FABP5FABP7KMT2ASMN1; SMN2NPC1
SCHEMBL119453 0.91 FABP5 (0.52) FABP5FABP7KMT2ASMN1; SMN2NPC1
SCHEMBL8249855 0.90 KMT2A (0.43) FABP5FABP7KMT2ASMN1; SMN2F10
SCHEMBL14428331 0.90 KMT2A (0.49) FABP5FABP7KMT2AF10CA1
SCHEMBL25993217 0.88 FABP5 (0.46) FABP5FABP7KMT2ASMN1; SMN2NPC1
SCHEMBL14114081 0.85 FABP5 (0.43) FABP5FABP7KMT2ASMN1; SMN2NPC1
SCHEMBL4517260 0.83 KMT2A (0.39) FABP5FABP7KMT2AF10EPHX2
SCHEMBL4517265 0.83 KMT2A (0.39) FABP5FABP7KMT2AF10EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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 (2 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 FABP5 607/4885FABP7 2008/4885KMT2A 3192/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 FABP5 360/4885FABP7 2661/4885KMT2A 2465/4885

“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.