SCHEMBL6852338

SCHEMBL6852338

CN[C@@H](C=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
SLC18A2 Q05940 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CAPN1 P07384 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ACE P12821 1/20 0.51
EPHX1 P07099 1/20 0.50
CTSB P07858 3/20 0.48

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
SCHEMBL1970032 1.00 TAAR1 (0.53) TAAR1SLC18A2SIGMAR1CAPN1MEN1
SCHEMBL2920753 1.00 TAAR1 (0.53) TAAR1SLC18A2SIGMAR1CAPN1MEN1
SCHEMBL15203095 0.89 ACE (0.47) TAAR1SLC18A2SIGMAR1CAPN1MEN1
SCHEMBL24153337 0.89 ACE (0.47) TAAR1SLC18A2SIGMAR1CAPN1MEN1
SCHEMBL17167138 0.84 CAPN1 (0.60) CAPN1ACECTSB
SCHEMBL21654011 0.83 CAPN1 (0.49) TAAR1SLC18A2SIGMAR1CAPN1MEN1
SCHEMBL13599518 0.82 CAPN1 (0.38) CAPN1ACE
SCHEMBL10167782 0.82 ACE (0.53) TAAR1CAPN1MEN1KMT2AACE
SCHEMBL13489139 0.82 ACE (0.53) TAAR1CAPN1MEN1KMT2AACE
SCHEMBL12803090 0.82 ACE (0.53) TAAR1CAPN1MEN1KMT2AACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US claimed
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 EP claimed
WO-2001038397-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0400065-A4 LHRH ANALOGS 1991-03-13 EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
US-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-04-07 US disclosed
WO-2021262731-A2 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-12-30 WO disclosed
US-10954269-B2 Anti-inflammatory tripeptides DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2021-03-23 US disclosed
US-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2019-05-23 US disclosed
WO-2015040235-A1 ANTI-INFLAMMATORY TRIPEPTIDES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2015-03-26 WO disclosed
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US disclosed
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 EP disclosed
EP-0863916-B1 POLYFLUOROALKYL TRYPTOPHAN TRIPEPTIDE THROMBIN INHIBITORS AVENTIS PHARMA INC (US) 2002-04-10 EP disclosed
WO-2001038397-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2001-05-31 WO disclosed
EP-1012165-A1 PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE Aventis Pharmaceuticals Inc. (US) 2000-06-28 EP disclosed
WO-1997035874-A1 PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N-[1-[3-[(AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE HOECHST MARION ROUSSEL, INC. (US) 1997-10-02 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 (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-20220106361-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PAICS, CYCS, LSS TAAR1 4814/4885SLC18A2 1679/4885SIGMAR1 3195/4885
US-20190153029-A1 ANTI-INFLAMMATORY TRIPEPTIDES VIP, TNF, ENPEP TAAR1 2337/4885SLC18A2 4192/4885SIGMAR1 1907/4885
US-10954269-B2 Anti-inflammatory tripeptides VIP, TNF, ENPEP TAAR1 2337/4885SLC18A2 4192/4885SIGMAR1 1907/4885

“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.