SCHEMBL3285529

SCHEMBL3285529

C[C@@H](C=O)N(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.38
ADH1C P00326 3/20 0.38
ADH1B P00325 1/20 0.38
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
EPHX1 P07099 2/20 0.32
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
TRPM8 Q7Z2W7 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
SCHEMBL7274112 1.00 ADH1A (0.38) ADH1AADH1CADH1BGAATSHR
SCHEMBL3285531 0.98 ADH1C (0.35) ADH1AADH1CADH1BGAATSHR
SCHEMBL3671338 0.97 ADH1B (0.33) ADH1AADH1CADH1BBTK
SCHEMBL3671340 0.97 ADH1B (0.33) ADH1AADH1CADH1BBTK
SCHEMBL14666763 0.84 ADH1B (0.38) ADH1AADH1CADH1BGAATSHR
SCHEMBL647264 0.81 TSHR (0.37) ADH1AADH1CADH1BGAATSHR
SCHEMBL9744375 0.81 TSHR (0.37) ADH1AADH1CADH1BGAATSHR
SCHEMBL9744380 0.81 TSHR (0.37) ADH1AADH1CADH1BGAATSHR
SCHEMBL2712968 0.81 TSHR (0.37) ADH1AADH1CADH1BGAATSHR
SCHEMBL4328796 0.81 TSHR (0.37) ADH1AADH1CADH1BGAATSHR

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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3163094-A None JP disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
EP-1866034-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2007-12-19 EP disclosed
US-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
WO-2006103038-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 WO disclosed
WO-2005077915-A1 PYRIDAZINONES AS ANTAGONISTS OF A4 INTEGRINS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 WO disclosed
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 EP disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed
US-4652551-A PEPTIDE, HYPOTENSIVE ABBOTT LABORATORIES (US) 1987-03-24 US disclosed
US-4645759-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-02-24 US disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed
EP-0184855-A2 Resin inhibiting compounds ABBOTT LABORATORIES (US) 1986-06-18 EP disclosed
EP-0172346-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 EP disclosed
EP-0172347-A2 Renin inhibiting compounds ABBOTT LABORATORIES (US) 1986-02-26 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 (3 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-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 ADH1A 281/4885ADH1C 650/4885ADH1B 432/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 ADH1A 281/4885ADH1C 650/4885ADH1B 432/4885
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof PSEN1, PSEN2, BACE1 ADH1A 281/4885ADH1C 650/4885ADH1B 432/4885

“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.