SCHEMBL1311029

SCHEMBL1311029

Cc1cc(CN(C(=O)O)[C@@](C)(Cc2ccc(O)cc2)C(=O)O)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.43
ESR1 P03372 4/20 0.37
ESR2 Q92731 3/20 0.35
KMT2A Q03164 6/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 5/20 0.33
MTOR P42345 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1311064 0.83 BLM (0.47) BLMESR1ESR2KMT2ALMNA
SCHEMBL1310507 0.83 ERCC1 (0.36) BLMKDM4ELMNAALDH1A1CYP3A4
SCHEMBL1311281 0.72 MEN1 (0.44) BLMKMT2ALMNAMEN1TSHR
SCHEMBL1336968 0.72 LMNA (0.43) KMT2ALMNAMEN1EDNRBEDNRA
SCHEMBL6725266 0.72 BLM (0.59) BLMESR1ESR2KMT2AKDM4E
SCHEMBL6674277 0.72 BLM (0.59) BLMESR1ESR2KMT2AKDM4E
SCHEMBL1312472 0.72 PTPRB (0.43) BLMESR1ESR2KMT2ALMNA
SCHEMBL18527956 0.71 MEN1 (0.51) BLMESR1ESR2KMT2ALMNA
Hydrochloric Acid SCHEMBL1334739 0.71 LMNA (0.42) KMT2ALMNAMEN1EDNRBEDNRA
SCHEMBL12112847 0.71 ITGB3 (0.45) BLMESR1KMT2AKDM4ELMNA

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-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

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 BLM 4452/4885ESR1 1456/4885ESR2 120/4885

“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.