SCHEMBL2897183

SCHEMBL2897183

CCOC(=O)c1cc2c(nc1NCc1ccco1)C(C)(C)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 7/20 0.46
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 4/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
REN P00797 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL2897363 0.94 TSHR (0.49) TSHRALDH1A1KDM4EMAPTNPSR1
SCHEMBL2901185 0.88 REN (0.46) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2900693 0.84 ALDH1A1 (0.57) TSHRALDH1A1KDM4EMAPTNPSR1
SCHEMBL2894300 0.83 ALDH1A1 (0.56) TSHRALDH1A1KDM4EMAPTNPSR1
SCHEMBL2896257 0.82 REN (0.45) TSHRALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2900125 0.76 TSHR (0.48) TSHRALDH1A1KDM4EMAPTNPSR1
SCHEMBL7913221 0.76 KDM4E (0.50) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL12991479 0.75 REN (0.65) REN
Hydrochloric Acid SCHEMBL2897401 0.75 REN (0.66) REN
SCHEMBL2894612 0.75 KDM4E (0.49) ALDH1A1KDM4EMAPTHSD17B10HPGD

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 9 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
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 TSHR 2220/4885ALDH1A1 897/4885KDM4E 1257/4885

“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.