SCHEMBL5111477

SCHEMBL5111477

O=c1sc2ccccc2n1CCCN1C2C=C(CCc3ccccc3)CC1CC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL3026431 0.83 SIGMAR1 (0.48) HTR1AHTR7SIGMAR1L3MBTL1NPC1
SCHEMBL5115828 0.78 HTR1A (0.51) HTR1AHTR7SIGMAR1L3MBTL1NPC1
SCHEMBL3032212 0.76 SIGMAR1 (0.43) SIGMAR1
SCHEMBL3037126 0.76 SIGMAR1 (0.43) SIGMAR1
SCHEMBL3037129 0.76 SIGMAR1 (0.43) SIGMAR1
SCHEMBL3039923 0.76 SIGMAR1 (0.43) SIGMAR1
SCHEMBL3028884 0.76 SIGMAR1 (0.43) SIGMAR1
SCHEMBL3031584 0.75 SIGMAR1 (0.42) HTR1AHTR7SIGMAR1
SCHEMBL7440654 0.73 L3MBTL1 (0.73) HTR1AHTR7SIGMAR1L3MBTL1NPC1
SCHEMBL2149357 0.73 SIGMAR1 (0.48) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070948-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 US disclosed
US-7300928-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS, INC. (US) 2007-11-27 US disclosed
US-7291611-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2007-11-06 US disclosed
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-09-07 US disclosed
US-20060025402-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-02-02 US disclosed
US-6951849-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2005-10-04 US disclosed
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. 2004-04-08 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 (4 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-20080070948-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 HTR1A 100/4885HTR7 104/4885SIGMAR1 294/4885
US-20060025402-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 HTR1A 100/4885HTR7 104/4885SIGMAR1 294/4885
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 HTR1A 86/4885HTR7 100/4885SIGMAR1 272/4885
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 HTR1A 100/4885HTR7 104/4885SIGMAR1 294/4885

“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.