SCHEMBL1929028

SCHEMBL1929028

N[C@@H]1CCCC[C@H]1NC1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.52
TMEM97 Q5BJF2 6/20 0.48
SIGMAR1 Q99720 6/20 0.48
HTR1A P08908 2/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
ADRA2C P18825 1/20 0.48
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL8224835 0.94 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1928714 0.94 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2744456 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL13661299 0.80 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL14529024 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL25030757 0.79 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL24183442 0.79 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL3086491 0.79 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL20040068 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL30738370 0.78 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97

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
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-7956069-B2 Compounds ASTRAZENECA AB (SE) 2011-06-07 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 SMN1; SMN2 93/4885NPC1 455/4885RAB9A 902/4885

“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.