SCHEMBL14369059

SCHEMBL14369059

CC(C)CC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(-n3ccnc3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 13/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.39
▸ TAOK3 Q9H2K8 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL4566657 1.00 CCR3 (0.44) CCR3TDP1HTTHTR2AHTR2C
SCHEMBL14369049 0.89 CCR3 (0.44) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL14369052 0.89 CYP2D6 (0.41) CCR3HTR2ACYP2D6DRD2SLC6A2
SCHEMBL4426204 0.88 CCR3 (0.43) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL14368994 0.88 CCR3 (0.43) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL4426694 0.87 HTT (0.43) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL14368998 0.87 HTT (0.43) CCR3HTTHTR2AHTR2CHTR2B
SCHEMBL14368708 0.85 HTR2A (0.47) TDP1HTTHTR2AHTR2CHTR2B
SCHEMBL14392756 0.85 HTR2A (0.47) TDP1HTTHTR2AHTR2CHTR2B
SCHEMBL27778315 0.85 HTR2A (0.47) TDP1HTTHTR2AHTR2CHTR2B

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
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN claimed
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 — — CN disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 — — WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 — — 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 CCR3 247/4885TDP1 3072/4885HTT 2970/4885

“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.

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