SCHEMBL5331372

SCHEMBL5331372

CCCCC1CCN(CCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
LMNA P02545 3/20 0.48
KCNJ1 P48048 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 1/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2A Q12879 1/20 0.45
ACHE P22303 2/20 0.40
HTR4 Q13639 1/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
RIPK1 Q13546 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
HPGD P15428 2/20 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
SCHEMBL5334997 0.83 GAA (0.43) KDM4ELMNAKCNJ1ALDH1A1MAPT
SCHEMBL5333833 0.82 HRH3 (0.42) ACHEHTR4HRH3DRD2DRD4
SCHEMBL7608604 0.81 KDM4E (0.67) KDM4ELMNAKCNJ1ALDH1A1MAPT
SCHEMBL5334974 0.81 CHRNA7 (0.57) GRIN2BGRIN2AHRH3DRD2DRD4
SCHEMBL5344240 0.79 MCHR1 (0.41) KCNJ1MAPTGRIN2BGRIN2AACHE
SCHEMBL5331503 0.79 HRH3 (0.41) CYP2D6HRH3DRD2DRD4DRD3
SCHEMBL783686 0.79 KDM4E (0.64) KDM4ELMNAKCNJ1ALDH1A1MAPT
SCHEMBL9720944 0.79 KDM4E (0.64) KDM4ELMNAKCNJ1ALDH1A1MAPT
SCHEMBL9721024 0.79 KDM4E (0.64) KDM4ELMNAKCNJ1ALDH1A1MAPT
SCHEMBL5332948 0.78 HRH3 (0.43) ACHEHTR4HRH3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US claimed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP claimed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US claimed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO claimed
US-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US disclosed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 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 (3 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-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 KDM4E 4113/4885LMNA 1956/4885KCNJ1 1571/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 KDM4E 4113/4885LMNA 1956/4885KCNJ1 1571/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 KDM4E 4113/4885LMNA 1956/4885KCNJ1 1571/4885

“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.