SCHEMBL2844301

SCHEMBL2844301

COC(=O)c1cccc(N2CC[C@@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)[C@@H](OC)C2)c1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.41
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR5 P51681 1/20 0.36
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL2844298 1.00 HTR2A (0.41) HTR2ACHRM5CHRM1CHRM3SIGMAR1
SCHEMBL2851367 0.77 CHRM5 (0.44) HTR2ACHRM5CHRM1CHRM3SIGMAR1
SCHEMBL2851369 0.77 CHRM5 (0.44) HTR2ACHRM5CHRM1CHRM3SIGMAR1
SCHEMBL2849887 0.74 ALDH1A1 (0.42) HTR2ACHRM5CHRM1CHRM3SIGMAR1
SCHEMBL2849889 0.74 ALDH1A1 (0.42) HTR2ACHRM5CHRM1CHRM3SIGMAR1
SCHEMBL2845300 0.74 OPRK1 (0.43) ALDH1A1MAPTKDM4EOPRK1
SCHEMBL2845302 0.74 OPRK1 (0.43) ALDH1A1MAPTKDM4EOPRK1
SCHEMBL2850358 0.73 JAK2 (0.52) HTTSMN1; SMN2
SCHEMBL2850359 0.73 JAK2 (0.52) HTTSMN1; SMN2
SCHEMBL15251341 0.69 HTR2A (0.52) HTR2ACHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HTR2A 2856/4885CHRM5 4718/4885CHRM1 4513/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A HTR2A 3605/4885CHRM5 4744/4885CHRM1 3863/4885

“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.