SCHEMBL5331529

SCHEMBL5331529

CCCCC1CCC(CCCC(=O)N(C)OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NAAA Q02083 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KDM5A P29375 5/20 0.39
PHF8 Q9UPP1 4/20 0.39
KDM2A Q9Y2K7 4/20 0.39
KDM4C Q9H3R0 3/20 0.39
KDM7A Q6ZMT4 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5337712 0.84 CHRM1 (0.51) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL17064819 0.83 MEN1 (0.35) MAPTALDH1A1HPGDKDM5APHF8
SCHEMBL211903 0.80 ALDH1A1 (0.60) ALDH1A1POLBKDM5APHF8KDM4C
SCHEMBL1713084 0.79 ALDH1A1 (0.52) ALDH1A1POLBKDM5AKDM4CMEN1
SCHEMBL14982202 0.77 ALOX5 (0.46) ALDH1A1KDM5A
SCHEMBL15056776 0.77 ALDH1A1 (0.50) ALDH1A1KDM5AMEN1KMT2A
SCHEMBL31528799 0.77 ALDH1A1 (0.50) ALDH1A1KDM5AMEN1KMT2A
SCHEMBL2304549 0.77 ALDH1A1 (0.50) ALDH1A1KDM5AMEN1KMT2A
SCHEMBL3963400 0.77 ALDH1A1 (0.50) ALDH1A1KDM5AMEN1KMT2A
SCHEMBL1667458 0.77 ALDH1A1 (0.50) ALDH1A1KDM5AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1699/4885CYP1A2 790/4885ALDH1A1 1654/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 MAPT 1699/4885CYP1A2 790/4885ALDH1A1 1654/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 MAPT 1699/4885CYP1A2 790/4885ALDH1A1 1654/4885

“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.