SCHEMBL489617

SCHEMBL489617

CNC(=O)[C@H]1CCC[N+]1(C)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 2/20 0.39
CPB1 P15086 1/20 0.39
GAA P10253 1/20 0.39
FKBP1A P62942 1/20 0.38
HTT P42858 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL15665799 0.87 ALDH1A1 (0.44) SMN1; SMN2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL15665561 0.87 ALDH1A1 (0.44) SMN1; SMN2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL8723700 0.84 ALDH1A1 (0.43) SMN1; SMN2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL1806227 0.74 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL6285067 0.73 CPB1 (0.44) SMN1; SMN2CYP3A4LMNAALDH1A1NPC1
SCHEMBL2438026 0.70 CPB1 (0.41) SMN1; SMN2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL13317580 0.70 ALDH1A1 (0.51) SMN1; SMN2CYP3A4LMNAALDH1A1NPC1
SCHEMBL3295119 0.69 CYP2C19 (0.45) SMN1; SMN2CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL18281695 0.69 KMT2A (0.43) SMN1; SMN2CYP3A4LMNAALDH1A1NPC1
SCHEMBL696626 0.69 CYP3A4 (0.40) SMN1; SMN2CYP3A4ALDH1A1NPC1RAB9A

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
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 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 (2 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 SMN1; SMN2 3600/4885CYP3A4 2456/4885LMNA 4818/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 SMN1; SMN2 3600/4885CYP3A4 2456/4885LMNA 4818/4885

“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.