SCHEMBL12115019

SCHEMBL12115019

CN(CCc1ccccc1)C(=O)[C@H](CCc1ccc(O)cc1)NC(=O)OCc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.51
CTSB P07858 9/20 0.51
CTSS P25774 4/20 0.51
CTSK P43235 3/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL12115236 0.92 CTSL (0.61) CTSLCTSBCTSSCTSKMEN1
SCHEMBL12112871 0.88 CTSL (0.58) CTSLCTSBCTSSCTSKMEN1
SCHEMBL12112868 0.83 MEN1 (0.60) CTSLCTSBCTSSCTSKMEN1
SCHEMBL12115231 0.82 CTSL (0.63) CTSLCTSBCTSSCTSKMEN1
SCHEMBL4332109 0.82 KDM4E (0.53) KMT2APOLBKDM4EOPRM1OPRD1
SCHEMBL12115112 0.80 CTSL (0.52) CTSLCTSBCTSSCTSKMEN1
SCHEMBL11711766 0.79 CASP1 (0.52) CTSLCTSBCTSSCTSKMEN1
SCHEMBL1701577 0.77 CTSL (0.55) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8098620 0.77 CTSL (0.55) CTSLCTSBCTSSCTSKMEN1
SCHEMBL12112892 0.76 POLB (0.43) CTSLCTSBCTSSCTSKMEN1

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
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 CTSL 1288/4885CTSB 2395/4885CTSS 3708/4885

“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.