SCHEMBL5069167

SCHEMBL5069167

O=C(O)c1ccc2c(ccn2C(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
RAB9A P51151 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
PPARG P37231 2/20 0.58
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
HSD17B10 Q99714 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NOTUM Q6P988 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
SCHEMBL29746616 0.83 RAPGEF4 (0.48) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL31435522 0.83 RAB9A (0.66) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL2768807 0.83 RAB9A (0.66) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL5431558 0.83 RAB9A (0.66) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL31435512 0.81 RAB9A (1.00) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL1413391 0.81 RAB9A (1.00) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL5066779 0.80 NOTUM (0.56) TSHRRAB9AL3MBTL1PPARGHSD17B10
SCHEMBL5068783 0.80 TDP1 (0.54) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL5420221 0.79 TSHR (0.60) TSHRRAB9AL3MBTL1PPARGHDAC3
SCHEMBL31266935 0.79 HDAC2 (0.65) TSHRRAB9AL3MBTL1PPARGHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-24 US disclosed
EP-1445250-A1 NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 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-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same TPSAB1, TPSB2, TPSD1 TSHR 1427/4885RAB9A 1468/4885L3MBTL1 1955/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 TSHR 641/4885RAB9A 3667/4885L3MBTL1 1728/4885

“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.