SCHEMBL14368732

SCHEMBL14368732

O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(N2CCCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.58
▸ ALDH1A1 P00352 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ MCHR1 Q99705 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ SLC6A9 P48067 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ USP30 Q70CQ3 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ UBE2T Q9NPD8 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
SCHEMBL14394410 0.86 HPGDS (0.43) HPGDSALDH1A1SMN1; SMN2HPGDEGLN1
SCHEMBL5661805 0.85 HPGDS (0.47) HPGDSALDH1A1SMN1; SMN2HPGDMCHR1
SCHEMBL5662755 0.85 CYP1A2 (0.48) HPGDSALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL5664882 0.85 LMNA (0.47) HPGDSALDH1A1HPGDKDM4EKMT2A
SCHEMBL4566555 0.85 LMNA (0.47) HPGDSALDH1A1HPGDKDM4EKMT2A
SCHEMBL14368680 0.85 LMNA (0.47) HPGDSALDH1A1HPGDKDM4EKMT2A
SCHEMBL5664886 0.85 LMNA (0.47) HPGDSALDH1A1HPGDKDM4EKMT2A
SCHEMBL5664652 0.85 LMNA (0.47) HPGDSALDH1A1HPGDKDM4EKMT2A
SCHEMBL5662394 0.84 HPGDS (0.45) HPGDSALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL4563814 0.84 HPGDS (0.45) HPGDSALDH1A1SMN1; SMN2HPGDHSD17B10

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 HPGDS 732/4885ALDH1A1 1047/4885SMN1; SMN2 239/4885

“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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