SCHEMBL2024820

SCHEMBL2024820

CCOC(=O)c1cccc([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KLKB1 P03952 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL2025568 1.00 HTT (0.44) HTTLMNAMEN1MAPTKMT2A
SCHEMBL1567512 1.00 HTT (0.44) HTTLMNAMEN1MAPTKMT2A
SCHEMBL1568426 0.91 ADRB2 (0.47) HTTLMNAMEN1MAPTKMT2A
SCHEMBL12581028 0.91 TRPV1 (0.44) HTTLMNAMEN1MAPTKMT2A
SCHEMBL12581029 0.91 TRPV1 (0.44) HTTLMNAMEN1MAPTKMT2A
SCHEMBL2023899 0.89 SMN1; SMN2 (0.40) HTTLMNAMEN1MAPTKMT2A
SCHEMBL1568470 0.89 SMN1; SMN2 (0.40) HTTLMNAMEN1MAPTKMT2A
SCHEMBL1567460 0.87 HTT (0.45) HTTLMNAMEN1MAPTKMT2A
SCHEMBL1567463 0.87 HTT (0.45) HTTLMNAMEN1MAPTKMT2A
SCHEMBL10068808 0.86 HTT (0.43) HTTLMNAMEN1MAPTKMT2A

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-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof VITAE PHARMACEUTICALS, INC. 2011-06-30 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP HTT 1504/4885LMNA 1952/4885MEN1 2924/4885
US-20110160300-A1 Renin Inhibitors and Methods of Use Thereof REN, ACE, AGTR1 HTT 2665/4885LMNA 1777/4885MEN1 2026/4885

“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.