SCHEMBL5699748

SCHEMBL5699748

N#Cc1ccc(CNCCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.44
HTR2A P28223 1/20 0.44
BCHE P06276 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
PTGER1 P34995 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 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
SCHEMBL5699809 0.78 TRPV6 (0.57) TRPV6SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL8323718 0.76 MRGPRX4 (0.53) KMT2APTGER1
SCHEMBL5699784 0.74 ALDH1A1 (0.55) TRPV6SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL23434794 0.72 MRGPRX4 (0.48) PTGER1TDP1STAT3SLC6A4SLC6A3
SCHEMBL5699813 0.72 L3MBTL1 (0.50) TRPV6SMN1; SMN2LMNAKMT2AHTR2A
SCHEMBL14775776 0.71 PTGER1 (0.55) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL25809489 0.71 HTR2A (0.61) SMN1; SMN2ALDH1A1LMNAHTR2ABCHE
SCHEMBL23015299 0.70 LOXL2 (0.59) ALDH1A1LMNATP53KMT2AMEN1
SCHEMBL5700023 0.70 CCR5 (0.65)
SCHEMBL5700208 0.69 CCR5 (0.55) KMT2AKDM4EPTGER1MAPTTDP1

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 TRPV6 824/4885SMN1; SMN2 2599/4885ALDH1A1 1080/4885

“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.