SCHEMBL2794952

SCHEMBL2794952

O=C(OCc1ccccc1)N(Cc1ccco1)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
HTR2A P28223 1/20 0.45
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 6/20 0.43
CYP2D6 P10635 3/20 0.43
CHRM3 P20309 1/20 0.43
KCNH2 Q12809 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
THRB P10828 1/20 0.40
NMT1 P30419 1/20 0.40
OPRM1 P35372 1/20 0.40

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 SCHEMBL2794947 0.99 HTT (0.45) HTTHTR2ACYP2C19ALDH1A1SLC6A2
SCHEMBL6202628 0.86 HTR2A (0.51) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2907313 0.85 THRB (0.49) HTTCYP2C19CHRM3THRBOPRM1
SCHEMBL4968349 0.80 TSHR (0.41) HTTCYP2C19ALDH1A1TSHRLMNA
SCHEMBL803880 0.80 CCR5 (0.54) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2791615 0.80 HTR2A (0.51) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
Trifluoroacetic Acid SCHEMBL22588019 0.80 DCUN1D1 (0.53) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2797116 0.79 GPR119 (0.49) HTTTHRB
Hydrochloric Acid SCHEMBL5232869 0.79 CCR5 (0.53) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL30802298 0.79 SLC6A2 (0.45) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6

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 HTT 1693/4885HTR2A 4650/4885CYP2C19 3197/4885

“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.