SCHEMBL5804382

SCHEMBL5804382

COC(=O)C12CC3CC(CC(NC(=O)OC(C)(C)C)(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
DPP9 Q86TI2 4/20 0.48
DPP8 Q6V1X1 3/20 0.48
EPHX2 P34913 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CACNA1H O95180 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12106949 0.92 MEN1 (0.47) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL2221231 0.87 MEN1 (0.52) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL6225929 0.87 GLA (0.46) MEN1KMT2AEPHX2RXFP1ALDH1A1
SCHEMBL5802496 0.86 MEN1 (0.51) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL16118624 0.82 MEN1 (0.40) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL16259930 0.82 MEN1 (0.52) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL13287421 0.81 MEN1 (0.55) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL6058833 0.81 RXFP1 (0.57) MEN1KMT2ARXFP1ALDH1A1TSHR
SCHEMBL136224 0.80 KMT2A (0.73) MEN1KMT2AMAPK1DPP9DPP8
SCHEMBL12104313 0.80 MEN1 (0.48) MEN1KMT2AMAPK1DPP9DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763980-B1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H LUNDBECK AS (DK) 2018-04-25 EP disclosed
US-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2016-11-10 US disclosed
US-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2016-11-10 US disclosed
US-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2016-11-10 US disclosed
US-9212165-B2 Bicarbocyclic and tricarbocyclic ethynyl derivatives and uses of same H. LUNDBECK A/S (DK) 2015-12-15 US disclosed
US-9212165-B2 Bicarbocyclic and tricarbocyclic ethynyl derivatives and uses of same H. LUNDBECK A/S (DK) 2015-12-15 US disclosed
US-9212165-B2 Bicarbocyclic and tricarbocyclic ethynyl derivatives and uses of same H. LUNDBECK A/S (DK) 2015-12-15 US disclosed
US-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-11-27 US disclosed
US-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-11-27 US disclosed
US-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2014-11-27 US disclosed
WO-2006090244-A1 NEW ADAMANTANE DERIVATIVES AS DIPEPTIDYL, PEPTIDASE IV INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2006-08-31 WO 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-20140350030-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME CBR1, CYCS, CYP3A43 MEN1 485/4885KMT2A 3162/4885MAPK1 4405/4885
US-20160326154-A1 BICARBOCYCLIC AND TRICARBOCYCLIC ETHYNYL DERIVATIVES AND USES OF SAME CBR1, CYCS, CYP3A43 MEN1 485/4885KMT2A 3162/4885MAPK1 4405/4885

“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.