SCHEMBL3609866

SCHEMBL3609866

NCC1CN(Cc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
SIGMAR1 Q99720 3/20 0.54
S1PR5 Q9H228 5/20 0.50
S1PR1 P21453 3/20 0.48
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
PNMT P11086 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
DRD4 P21917 2/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7826768 0.88 SMN1; SMN2 (0.54) SMN1; SMN2POLBSIGMAR1S1PR5DRD4
SCHEMBL7827240 0.88 SMN1; SMN2 (0.54) SMN1; SMN2POLBSIGMAR1S1PR5DRD4
SCHEMBL8329828 0.85 POLB (0.59) SMN1; SMN2POLBSIGMAR1S1PR5KCNH2
SCHEMBL4034621 0.84 SMN1; SMN2 (0.61) SMN1; SMN2POLBSIGMAR1S1PR5KCNH2
SCHEMBL3614165 0.78 CCR3 (0.50) SMN1; SMN2POLBSIGMAR1S1PR5S1PR1
SCHEMBL25081078 0.77 FUCA1 (0.56) SIGMAR1S1PR5S1PR1ALDH1A1
SCHEMBL16461078 0.77 SMN1; SMN2 (0.60) SMN1; SMN2POLBSIGMAR1S1PR5S1PR1
SCHEMBL1809499 0.76 DRD4 (0.65) SMN1; SMN2POLBSIGMAR1DRD4
SCHEMBL4031677 0.76 DRD4 (0.65) SMN1; SMN2POLBSIGMAR1DRD4
SCHEMBL4026839 0.76 DRD4 (0.65) SMN1; SMN2POLBSIGMAR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691841-B2 Azetidine derivatives as CCR-3 receptor antagonist NOVARTIS AG (CH) 2010-04-06 US disclosed
EP-1781606-B1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-08-05 EP disclosed
US-20070259848-A1 Azetidine Derivatives as Ccr-e Receptor NOVARTIS AG (CH) 2007-11-08 US disclosed
EP-1781606-A2 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006015854-A2 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2006-02-16 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-20070259848-A1 Azetidine Derivatives as Ccr-e Receptor CCR1, CCR3, CCR9 SMN1; SMN2 3181/4885POLB 4420/4885SIGMAR1 551/4885

“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.