SCHEMBL2795249

SCHEMBL2795249

Cc1ccc(CN(C(=O)OCc2ccccc2)C2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.47
CCR5 P51681 6/20 0.44
OPRM1 P35372 1/20 0.43
HSD11B1 P28845 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41

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
Hydrochloric Acid SCHEMBL2795250 0.99 HTR2A (0.46) HTR2ACCR5OPRM1HSD11B1UBE2M
Hydrochloric Acid SCHEMBL2794028 0.99 HTR2A (0.46) HTR2ACCR5OPRM1HSD11B1UBE2M
Hydrochloric Acid SCHEMBL2797233 0.93 HTR2A (0.47) HTR2ACCR5HSD11B1PTGDR2
Hydrochloric Acid SCHEMBL2797514 0.91 HTR2A (0.56) HTR2AOPRM1
Hydrochloric Acid SCHEMBL2793463 0.90 HTR2A (0.49) HTR2AOPRM1UBE2MDCUN1D1PTGDR2
Hydrochloric Acid SCHEMBL2791123 0.89 HTR2A (0.44) HTR2ACCR5HSD11B1PTGDR2
Hydrochloric Acid SCHEMBL2793291 0.88 HTR2A (0.48) HTR2APTGDR2
Hydrochloric Acid SCHEMBL2796669 0.88 HTR2A (0.43) HTR2ACCR5PTGDR2
SCHEMBL2795154 0.85 HTR2A (0.51) HTR2ACCR5OPRM1UBE2MDCUN1D1
SCHEMBL2791118 0.85 THRB (0.45) HTR2ACCR5OPRM1UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2010-07-01 US disclosed
EP-2164829-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2010-03-24 EP disclosed
WO-2008150089-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2008-12-11 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-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF PDF, PEPD, DPEP1 HTR2A 4650/4885CCR5 3574/4885OPRM1 4668/4885

“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.