SCHEMBL5765997

SCHEMBL5765997

C/C=C1/C[C@@H](C(=O)OC)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CYP19A1 P11511 1/20 0.45
PTPN1 P18031 1/20 0.44
FKBP1A P62942 1/20 0.44
PREP P48147 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL6649131 1.00 NPSR1 (0.46) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5765999 1.00 NPSR1 (0.46) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL9542681 0.89 SMN1; SMN2 (0.46) NPSR1PTPN1PREPNPC1RAB9A
SCHEMBL9542673 0.89 SMN1; SMN2 (0.46) NPSR1PTPN1PREPNPC1RAB9A
SCHEMBL6645970 0.89 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5766887 0.89 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5765206 0.89 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5765207 0.89 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL5766886 0.89 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1
SCHEMBL6645176 0.89 NPSR1 (0.45) NPSR1MITFMAPTHTTCYP19A1

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-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20050159444-A1 Bicyclic unsaturated tertiary amine compounds SANKYO COMPANY, LIMITED (JP) 2005-07-21 US disclosed
EP-1541571-A1 BICYCLIC UNSATURATED TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2005-06-15 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 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-20050159444-A1 Bicyclic unsaturated tertiary amine compounds IL1B, IL1A, STAT6 NPSR1 263/4885MITF 2156/4885MAPT 2244/4885
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B NPSR1 359/4885MITF 3652/4885MAPT 4733/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A NPSR1 330/4885MITF 3712/4885MAPT 4699/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A NPSR1 163/4885MITF 4408/4885MAPT 4831/4885

“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.