SCHEMBL2994414

SCHEMBL2994414

O=C(OCc1ccccc1)n1c(=O)n(C2CCN(C3CCNC3)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
OPRL1 P41146 7/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
CYP2C19 P33261 1/20 0.39
CACNA1G O43497 2/20 0.38
CACNA1H O95180 2/20 0.38
GLA P06280 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
SCHEMBL13243414 0.85 OPRL1 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3001836 0.81 JAK2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL589097 0.79 SMN1; SMN2 (0.57) HTR2CCHRM4CHRM5SMN1; SMN2NPC1
SCHEMBL26099888 0.79 SMN1; SMN2 (0.57) HTR2CCHRM4CHRM5SMN1; SMN2NPC1
SCHEMBL13243450 0.79 OPRL1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11033593 0.78 MEN1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6577940 0.74 CHRM1 (0.67) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16710504 0.73 HTR2C (0.60) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL519648 0.73 SMN1; SMN2 (0.55) HTR2CCHRM4CHRM5SMN1; SMN2NPC1
SCHEMBL519379 0.72 SMN1; SMN2 (0.60) HTR2CCHRM4CHRM5SMN1; SMN2NPC1

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-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia ASTRAZENECA AB (SE) 2010-07-08 US disclosed
EP-2035412-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007142585-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-12-13 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-20100173935-A1 Muscarinic Receptor Agonists that are Effective in the Treatment of Pain, Alzheimer's Disease and Schizophrenia CHRM1, CHRM2, CHRM5 HTR2C 176/4885CHRM2 2/4885CHRM4 4/4885

“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.