SCHEMBL1134418

SCHEMBL1134418

O=C(OCc1ccccc1)N1CCC(N[C@@H]2CC3(CC[C@H]2O)OCCO3)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GRIN2B Q13224 7/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP3A4 P08684 3/20 0.43
KDM1A O60341 1/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
ENPP2 Q13822 2/20 0.42
ATXN2 Q99700 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL1134442 1.00 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17852747 0.79 CPB1 (0.49) CYP2C19CYP2C9KDM1A
SCHEMBL16378032 0.79 CPB1 (0.49) CYP2C19CYP2C9KDM1A
SCHEMBL3086491 0.77 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1134416 0.77 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1134445 0.77 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2081641 0.76 MEN1 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL31628389 0.75 MEN1 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12821504 0.74 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL25624672 0.74 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-2285798-A1 MUSCARINIC RECEPTOR AGONITS USEFUL IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA AstraZeneca AB (SE) 2011-02-23 EP disclosed
WO-2009136850-A1 MUSCARINIC RECEPTOR AGONITS USEFUL IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2009-11-12 WO disclosed
US-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 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-20090275574-A1 NOVEL COMPOUNDS-300 CACNA1A, SCN10A, OPRM1 SMN1; SMN2 383/4885NPC1 1507/4885RAB9A 1042/4885

“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.