SCHEMBL2795154

SCHEMBL2795154

Cc1ccc(CN(C(=O)OCc2ccccc2)C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.51
OPRM1 P35372 3/20 0.49
CCR5 P51681 5/20 0.49
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN2B Q13224 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL2795249 0.85 HTR2A (0.47) HTR2AOPRM1CCR5UBE2MDCUN1D1
SCHEMBL784814 0.85 CCR5 (0.60) CCR5NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2794028 0.84 HTR2A (0.46) HTR2AOPRM1CCR5UBE2MDCUN1D1
Hydrochloric Acid SCHEMBL2795250 0.84 HTR2A (0.46) HTR2AOPRM1CCR5UBE2MDCUN1D1
SCHEMBL2791615 0.84 HTR2A (0.51) HTR2ADCUN1D1CHRM3
SCHEMBL20780570 0.83 HTR2A (0.65) HTR2A
Hydrochloric Acid SCHEMBL2791610 0.83 HTR2A (0.50) HTR2ADCUN1D1CHRM3
SCHEMBL30802466 0.82 SMN1; SMN2 (0.49) CCR5NPC1RAB9ASMN1; SMN2CHRM2
SCHEMBL2907313 0.81 THRB (0.49) OPRM1CCR5UBE2MDCUN1D1NPC1
SCHEMBL785198 0.80 SIGMAR1 (0.58) HTR2ACCR5NPC1RAB9ASMN1; 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 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 4650/4885OPRM1 4668/4885CCR5 3574/4885

“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.