SCHEMBL14368710

SCHEMBL14368710

O=C(Cc1cccnc1)N[C@@H]1CCCC[C@H]1CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.55
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ GLS O94925 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ C3AR1 Q16581 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL27757306 1.00 SIGMAR1 (0.55) SIGMAR1CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL27757311 0.90 C3AR1 (0.50) SIGMAR1ALDH1A1MAPTHTTC3AR1
SCHEMBL14368761 0.90 C3AR1 (0.50) SIGMAR1ALDH1A1MAPTHTTC3AR1
SCHEMBL28944413 0.87 EPHX2 (0.56) SIGMAR1ALDH1A1GLSEPHX2
SCHEMBL14368746 0.87 EPHX2 (0.56) SIGMAR1ALDH1A1GLSEPHX2
SCHEMBL28783273 0.80 POLB (0.58) SIGMAR1ALDH1A1MAPTKDM4EPOLB
SCHEMBL14368730 0.80 POLB (0.58) SIGMAR1ALDH1A1MAPTKDM4EPOLB
SCHEMBL23972940 0.78 EPHX2 (0.68) SIGMAR1CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL14368687 0.77 EPHX2 (0.60) SIGMAR1CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL14368812 0.76 LMNA (0.55) ALDH1A1MAPTHTTKDM4EHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SIGMAR1 3/4885CYP1A2 285/4885CYP3A4 292/4885

“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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