SCHEMBL2899700

SCHEMBL2899700

CC(C)c1ncc(C(=O)O)c(NCC2CCCO2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.50
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 4/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TNK2 Q07912 4/20 0.41
PDE5A O76074 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
KLK7 P49862 1/20 0.40

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
SCHEMBL2899621 0.83 MERTK (0.44) HCAR3AURKARPS6KB1ALDH1A1KDM4E
SCHEMBL23620371 0.83 HCAR3 (0.53) HCAR3AURKARPS6KB1ALDH1A1KDM4E
SCHEMBL2900464 0.80 HCAR3 (0.50) HCAR3AURKARPS6KB1ALDH1A1KDM4E
SCHEMBL15358448 0.74 HCAR3 (0.54) HCAR3AURKARPS6KB1ALDH1A1HPGD
SCHEMBL15349730 0.71 HCAR3 (0.53) HCAR3AURKARPS6KB1ALDH1A1KDM4E
SCHEMBL2901196 0.71 KDM6B (0.46) HCAR3
SCHEMBL23620370 0.71 ALDH1A1 (0.58) HCAR3AURKARPS6KB1ALDH1A1KDM4E
SCHEMBL4773575 0.71 TNK2 (0.47) HCAR3AURKARPS6KB1ALDH1A1KDM4E
SCHEMBL4478343 0.70 KDM4E (0.62) ALDH1A1KDM4EHPGDMAPK1HTT
SCHEMBL2894358 0.68 JAK3 (0.44) HCAR3ALDH1A1KDM4EHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 EP disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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 (1 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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT HCAR3 1369/4885AURKA 1154/4885RPS6KB1 2732/4885

“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.