SCHEMBL2849889

SCHEMBL2849889

CCOC(=O)c1cc(C)cc(N2CC[C@@H](N(Cc3ccccc3)C(=O)OCc3ccccc3)[C@@H](OC)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TMEM97 Q5BJF2 2/20 0.38
HTR2A P28223 4/20 0.36
CCR5 P51681 2/20 0.36
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
TSHR P16473 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL2849887 1.00 ALDH1A1 (0.42) ALDH1A1TMEM97HTR2ACCR5CHRM5
SCHEMBL2851367 0.77 CHRM5 (0.44) HTR2ACCR5CHRM5CHRM1CHRM3
SCHEMBL2851369 0.77 CHRM5 (0.44) HTR2ACCR5CHRM5CHRM1CHRM3
SCHEMBL2850783 0.74 OPRK1 (0.38) ALDH1A1
SCHEMBL2850788 0.74 OPRK1 (0.38) ALDH1A1
SCHEMBL2844301 0.74 HTR2A (0.41) ALDH1A1HTR2ACCR5CHRM5CHRM1
SCHEMBL2844298 0.74 HTR2A (0.41) ALDH1A1HTR2ACCR5CHRM5CHRM1
SCHEMBL2850358 0.72 JAK2 (0.52)
SCHEMBL2850359 0.72 JAK2 (0.52)
SCHEMBL15251340 0.71 HTR2A (0.52) HTR2ACHRM3SIGMAR1TSHR

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 ALDH1A1 3596/4885TMEM97 4331/4885HTR2A 2856/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885TMEM97 4455/4885HTR2A 3605/4885

“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.