SCHEMBL5699784

SCHEMBL5699784

NCCc1cc(Cl)ccc1OCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTGER1 P34995 2/20 0.53
CCR5 P51681 3/20 0.51
SLC6A4 P31645 2/20 0.51
MAOB P27338 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
STAT3 P40763 1/20 0.47
CARM1 Q86X55 1/20 0.45
PRMT1 Q99873 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
TP53 P04637 1/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL14775776 0.82 PTGER1 (0.55) ALDH1A1LMNASMN1; SMN2PTGER1CCR5
Hydrochloric Acid SCHEMBL6215773 0.77 CCR5 (0.75) PTGER1CCR5SLC6A4MAOBSTAT3
SCHEMBL5099851 0.76 SLC6A4 (0.56) ALDH1A1LMNASMN1; SMN2PTGER1CCR5
SCHEMBL26921913 0.75 ATM (0.51) TAAR1
SCHEMBL5699660 0.75 PTGER1 (0.48) ALDH1A1LMNASMN1; SMN2PTGER1CCR5
SCHEMBL2676788 0.75 MAOB (0.51) MAOBTAAR1
SCHEMBL14785109 0.74 PTGER1 (0.57) PTGER1CCR5
SCHEMBL5699748 0.74 TRPV6 (0.50) ALDH1A1LMNASMN1; SMN2PTGER1SLC6A4
Hydrochloric Acid SCHEMBL2676916 0.74 MAOB (0.54) MAOBTAAR1
SCHEMBL15778925 0.74 SLC6A4 (0.53) ALDH1A1LMNASMN1; SMN2PTGER1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687268-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-09 EP claimed
WO-2005047249-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-26 WO claimed
US-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 US claimed
EP-1687268-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-09 EP disclosed
WO-2005047249-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-26 WO disclosed
US-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 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-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists CCR1, CCR3, CCR4 ALDH1A1 1080/4885LMNA 3981/4885SMN1; SMN2 2599/4885

“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.