SCHEMBL496388

SCHEMBL496388

CCOC(=O)[C@@H]1CCCN1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.56
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 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
SCHEMBL25658114 1.00 FKBP1A (0.56) FKBP1AALDH1A1MAPTMEN1KMT2A
SCHEMBL7304571 1.00 FKBP1A (0.56) FKBP1AALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11660822 0.98 FKBP1A (0.55) FKBP1AALDH1A1MAPTMEN1KMT2A
SCHEMBL6541395 0.95 FKBP1A (0.62) FKBP1AALDH1A1MAPTMEN1KMT2A
SCHEMBL7310339 0.94 FKBP1A (0.60) FKBP1AALDH1A1MEN1KMT2AKDM4E
SCHEMBL10066850 0.85 FKBP1A (0.62) FKBP1AALDH1A1MAPTMEN1KMT2A
SCHEMBL3529712 0.85 FKBP1A (0.57) FKBP1AALDH1A1MAPTMEN1KMT2A
SCHEMBL468912 0.85 FKBP1A (0.57) FKBP1AALDH1A1MAPTMEN1KMT2A
SCHEMBL11099628 0.85 FKBP1A (0.57) FKBP1AALDH1A1MAPTMEN1KMT2A
SCHEMBL468914 0.85 FKBP1A (0.57) FKBP1AALDH1A1MAPTMEN1KMT2A

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
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 FKBP1A 1667/4885ALDH1A1 1241/4885MAPT 4879/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 FKBP1A 4496/4885ALDH1A1 2297/4885MAPT 4867/4885

“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.