SCHEMBL14798442

SCHEMBL14798442

CC(c1ccccc1)c1cccc(C(CCCCN(C)C)C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR2A P28223 2/20 0.43
HRH1 P35367 2/20 0.43
CCR2 P41597 1/20 0.41
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.38
EPHX1 P07099 1/20 0.38
UBE2N P61088 1/20 0.38
CHRM1 P11229 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ALOX15 P16050 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL14798226 0.89 HTR2A (0.44) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL4903451 0.88 ALDH1A1 (0.53) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL14797924 0.87 KDM4E (0.43) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL4903496 0.84 PTGS1 (0.47) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL4909459 0.84 ALDH1A1 (0.40) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL4901528 0.83 BCHE (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL22322971 0.82 HTR2A (0.59) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL4903456 0.81 CHRM1 (0.41) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL14798339 0.81 CCR2 (0.43) ALDH1A1LMNAKDM4ESMN1; SMN2HTR2A
SCHEMBL3817988 0.73 EPHX1 (0.54) LMNAHTR2AALOX5EPHX1CHRM1

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-9493402-B2 Omega-aminoalkylamides of R-2-aryl-propionic acids as inhibitors of the chemotaxis of polymorphonucleate and mononucleate cells DOMPÉ FARMACEUTICI S.P.A. (IT) 2016-11-15 US disclosed
US-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ Dompé S.p.A. (IT) 2013-03-28 US 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-20130079514-A1 \"OMEGA-AMINOALKYLAMIDES OF R-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS\ C5AR2, C3AR1, C5AR1 ALDH1A1 1026/4885LMNA 2539/4885KDM4E 3935/4885

“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.