SCHEMBL12979918

SCHEMBL12979918

CCC[C@@H](N=C=O)c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPD P32754 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL12979773 0.94 ESR1 (0.32) HPDMAPTLMNAKMT2AMAPK1
SCHEMBL1194496 0.92 HTT (0.34) HPDMAPTLMNAKMT2AMAPK1
SCHEMBL12981016 0.84 SMN1; SMN2 (0.35) HPDMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL12980888 0.81 ADRB2 (0.37) HPDADRB2HTT
SCHEMBL1186945 0.78 HTT (0.38) HPDMAPTLMNAKMT2AMAPK1
SCHEMBL2582039 0.77 ADRB2 (0.38) HPDMAPTLMNAKMT2AMAPK1
SCHEMBL1185442 0.77 ADRB2 (0.38) HPDMAPTLMNAKMT2AMAPK1
Cadaverine Tartrate SCHEMBL12981095 0.76 GRM8 (0.39) —
Hydrochloric Acid SCHEMBL1185967 0.76 ADRB2 (0.40) HPDMAPTLMNAKMT2AMAPK1
SCHEMBL12980184 0.74 APP (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518056-B1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO CO LTD (JP) 2015-07-29 — — EP disclosed
US-8846660-B2 Seven-membered ring compound and pharmaceutical use therefor DAIICHI SANKYO COMPANY, LTD. (JP) 2014-09-30 — — US disclosed
EP-2518056-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-31 — — EP disclosed
US-20120259111-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO COMPANY LIMITED (JP) 2012-10-11 — — 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 (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-20120259111-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR CMA1, CPA3, TMPRSS15 HPD 1664/4885MAPT 3457/4885LMNA 1209/4885

“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.

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