SCHEMBL3020294

SCHEMBL3020294

CC(C)(C)OC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.59
CTSS P25774 1/20 0.59
CTSK P43235 1/20 0.59
TACR1 P25103 8/20 0.57
TACR3 P29371 1/20 0.55
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
CCKBR P32239 2/20 0.53
ACE P12821 1/20 0.53
SSTR3 P32745 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3020291 1.00 CTSL (0.59) CTSLCTSSCTSKTACR1TACR3
SCHEMBL9016089 1.00 CTSL (0.59) CTSLCTSSCTSKTACR1TACR3
SCHEMBL16694906 0.90 TACR1 (0.56) CTSLCTSSCTSKTACR1TACR3
SCHEMBL10625966 0.90 TACR1 (0.52) CTSLCTSSCTSKTACR1TACR3
SCHEMBL10625499 0.89 TACR1 (0.52) CTSLCTSSCTSKTACR1TACR3
SCHEMBL10625491 0.89 TACR1 (0.52) CTSLCTSSCTSKTACR1TACR3
SCHEMBL8651829 0.87 CTSL (0.58) CTSLCTSSCTSKTACR1TACR3
SCHEMBL10746226 0.86 TACR1 (0.48) CTSLCTSSCTSKTACR1TACR3
SCHEMBL8650748 0.86 CTSL (0.57) CTSLCTSSCTSKTACR1TACR3
SCHEMBL9016095 0.85 TACR1 (0.74) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2871181-B1 Novel Compounds for Regeneration of Terminally-Differentiated Cells and tissues ACOUSIA THERAPEUTICS GMBH (DE) 2016-10-05 EP disclosed
US-20160280670-A1 NOVEL COMPOUNDS FOR REGENERATION OF TERMINALLY-DIFFERENTIATED CELLS AND TISSUES ACOUSIA THERAPEUTICS GMBH (DE) 2016-09-29 US disclosed
WO-2015071165-A1 NOVEL COMPOUNDS FOR REGENERATION OF TERMINALLY-DIFFERENTIATED CELLS AND TISSUES ACOUSIA THERAPEUTICS GMBH (DE) 2015-05-21 WO disclosed
EP-2871181-A1 Novel Compounds for Regeneration of Terminally-Differentiated Cells and tissues Acousia Therapeutics GmbH (DE) 2015-05-13 EP disclosed
US-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-07-22 US disclosed
EP-2178537-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2009011836-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2009-01-22 WO disclosed
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6194437-B1 ANTIDEPRESSANTS; ANTICANCER AGENTS; GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS WARNER-LAMBERT COMPANY 2001-02-27 US disclosed
EP-0920424-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-06-09 EP disclosed
WO-1998007718-A1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-26 WO disclosed
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed
US-4757151-A Pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-07-12 US disclosed
EP-0224151-A2 2-Substituted-[2-substituted-amino]-N-aralkyl-3-[indol-3-yl]propanamides WARNER-LAMBERT COMPANY (US) 1987-06-03 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-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS GPR119, SSTR3, SSTR2 CTSL 2708/4885CTSS 2931/4885CTSK 3358/4885
US-20160280670-A1 NOVEL COMPOUNDS FOR REGENERATION OF TERMINALLY-DIFFERENTIATED CELLS AND TISSUES CCNB3, CCNB1, CCNB2 CTSL 1585/4885CTSS 1190/4885CTSK 2600/4885

“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.