SCHEMBL1310486

SCHEMBL1310486

Cc1cc(COC(=O)NC(C)(C)C(=O)O)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SHMT1 P34896 2/20 0.36
SHMT2 P34897 2/20 0.36
ELANE P08246 1/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSS P25774 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
SCHEMBL1311745 0.87 MEN1 (0.42) MAPTMEN1KMT2AAAK1KDM4E
SCHEMBL1334643 0.86 KDM4E (0.40) MAPTMEN1KMT2AAAK1KDM4E
Hydrochloric Acid SCHEMBL1336116 0.85 KDM4E (0.40) MAPTMEN1KMT2AKDM4EELANE
SCHEMBL12126865 0.81 MEN1 (0.42) MEN1KMT2AAAK1KDM4EELANE
SCHEMBL11598409 0.79 ALDH1A1 (0.40) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL12112847 0.79 ITGB3 (0.45) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL1578756 0.79 KDM4E (0.39) MAPTMEN1KMT2AAAK1KDM4E
SCHEMBL503402 0.78 MEN1 (0.57) MEN1KMT2ANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL1578110 0.78 KDM4E (0.39) MAPTMEN1KMT2AAAK1KDM4E
SCHEMBL1578305 0.78 AAK1 (0.36) AAK1KDM4EELANECYP3A4SMN1; SMN2

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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 US disclosed
US-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 US disclosed
US-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2310368-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2011-04-20 EP disclosed
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 MAPT 4483/4885MEN1 3508/4885KMT2A 2294/4885

“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.