SCHEMBL3027843

SCHEMBL3027843

CCCCC1CCN(CCCSc2nc3ccccc3s2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GRIN2B Q13224 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL5338397 0.81 DRD3 (0.60) TMEM97HTR1AHTR2AHTR7
SCHEMBL5331466 0.81 DRD2 (0.59) TMEM97HTR1AHTR2AHTR7
SCHEMBL5335906 0.80 DRD2 (0.53) TMEM97HTR1AHTR2AHTR7
SCHEMBL422527 0.79 CYP1A2 (0.75) CYP1A2CYP2D6ALDH1A1KDM4EGFER
SCHEMBL30422981 0.79 CYP1A2 (0.75) CYP1A2CYP2D6ALDH1A1KDM4EGFER
SCHEMBL14761267 0.78 CYP1A2 (0.58) CYP1A2CYP2D6ALDH1A1KDM4EGFER
SCHEMBL3026373 0.77 ALDH1A1 (0.51) ALDH1A1TMEM97MAPK1HSD17B10HTR1A
SCHEMBL11339285 0.76 CYP1A2 (0.71) CYP1A2CYP2D6ALDH1A1KDM4EGFER
SCHEMBL15501213 0.76 CYP1A2 (0.71) CYP1A2CYP2D6ALDH1A1KDM4EGFER
SCHEMBL19614388 0.76 CYP1A2 (0.71) CYP1A2CYP2D6ALDH1A1KDM4EGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216840-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2010-08-26 US disclosed
US-20080070948-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 US disclosed
US-20080009520-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2008-01-10 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-7273857-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2007-09-25 US disclosed
US-20060205785-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-09-14 US disclosed
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents KELLY NICHOLAS M 2006-09-07 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 (5 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 CYP1A2 1438/4885CYP2D6 2195/4885ALDH1A1 2473/4885
US-20100216840-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 CYP1A2 1438/4885CYP2D6 2195/4885ALDH1A1 2473/4885
US-20080009520-A1 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS CHRM4, CHRM1, CHRM2 CYP1A2 1438/4885CYP2D6 2195/4885ALDH1A1 2473/4885
US-20060199799-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 CYP1A2 1438/4885CYP2D6 2195/4885ALDH1A1 2473/4885
US-20060205785-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM1, CHRM2 CYP1A2 1438/4885CYP2D6 2195/4885ALDH1A1 2473/4885

“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.