SCHEMBL5374293

SCHEMBL5374293

CCCCC1CCN(CCCn2c(C(F)(F)F)nc3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
CHRM1 P11229 3/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
DRD2 P14416 2/20 0.45
CHRM3 P20309 2/20 0.45
DRD4 P21917 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45

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
SCHEMBL5336821 0.83 MCHR1 (0.56) HRH3
SCHEMBL6394311 0.83 HRH3 (0.49) HRH3L3MBTL1CHRM1CHRM2CHRM4
SCHEMBL5338771 0.83 POLB (0.58) ALDH1A1SMN1; SMN2HRH3L3MBTL1CHRM1
SCHEMBL29204336 0.82 TLR8 (0.61) ALDH1A1GAASMN1; SMN2MAPTL3MBTL1
SCHEMBL27930170 0.80 MAPT (0.46) PKMALDH1A1GAASMN1; SMN2MAPT
SCHEMBL5336387 0.78 HRH3 (0.55) HRH3CHRM1CHRM2CHRM4CHRM5
SCHEMBL5332371 0.76 HRH3 (0.52) ALDH1A1MAPTHRH3L3MBTL1CHRM1
SCHEMBL5335283 0.75 DRD2 (0.58) SMN1; SMN2MAPTHRH3HTTCHRM1
SCHEMBL5332494 0.75 CHRM1 (0.50) ALDH1A1GAASMN1; SMN2HRH3CHRM1
SCHEMBL5336178 0.75 SLC9A1 (0.63) HRH3CHRM1CHRM2CHRM4CHRM5

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 PKM 1318/4885ALDH1A1 1654/4885GAA 1286/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 PKM 1318/4885ALDH1A1 1654/4885GAA 1286/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 PKM 1318/4885ALDH1A1 1654/4885GAA 1286/4885

“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.