SCHEMBL14368686

SCHEMBL14368686

O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.57
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ CHRNA7 P36544 3/20 0.48
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ATF4 P18848 2/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ PTGES O14684 2/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL27778309 1.00 HRH3 (0.57) HRH3RAB9ANPC1CHRNA7CHRNB2
SCHEMBL14368768 0.85 TAS1R3 (0.64) HRH3CHRNA7CHRNB2CHRNA4POLB
SCHEMBL14392352 0.78 CHRNA7 (0.51) RAB9ANPC1CHRNA7HTR3A
SCHEMBL14368703 0.78 CHRNA7 (0.51) RAB9ANPC1CHRNA7HTR3A
SCHEMBL27757300 0.78 CHRNA7 (0.51) RAB9ANPC1CHRNA7HTR3A
SCHEMBL24225638 0.78 RAB9A (0.73) RAB9ANPC1L3MBTL1ATF4PTGES
SCHEMBL17209555 0.78 RAB9A (0.73) RAB9ANPC1L3MBTL1ATF4PTGES
SCHEMBL14368809 0.77 F10 (0.49) NPC1TAS1R3TAS1R1
SCHEMBL27778277 0.77 F10 (0.49) NPC1TAS1R3TAS1R1
SCHEMBL28783273 0.75 POLB (0.58) HRH3POLB

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 4 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 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 HRH3 337/4885RAB9A 913/4885NPC1 1012/4885

“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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