SCHEMBL3036060

SCHEMBL3036060

NC(CCC[C@H](N)C(=O)O)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
KDM4E B2RXH2 3/20 0.76
MAPT P10636 3/20 0.76
LMNA P02545 2/20 0.76
TSHR P16473 2/20 0.76
BLM P54132 2/20 0.76
PMP22 Q01453 2/20 0.76
MEN1 O00255 2/20 0.76
MPO P05164 1/20 0.76
HIF1A Q16665 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.61
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR2A P28223 3/20 0.53
HTR1A P08908 2/20 0.53
HTR2C P28335 2/20 0.53
SLC6A4 P31645 2/20 0.53
HTR7 P34969 2/20 0.53

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
SCHEMBL27739690 1.00 KMT2A (0.76) KMT2AKDM4EMAPTLMNATSHR
Tryptophan SCHEMBL15542651 0.88 KMT2A (0.97) KMT2AKDM4EMAPTLMNATSHR
Dl-Tryptophan SCHEMBL15542649 0.88 KMT2A (0.97) KMT2AKDM4EMAPTLMNATSHR
D-Tryptophan SCHEMBL29029183 0.88 KMT2A (0.97) KMT2AKDM4EMAPTLMNATSHR
Dl-Tryptophan SCHEMBL27705509 0.88 KDM4E (0.80) KMT2AKDM4EMAPTLMNATSHR
Tryptophan SCHEMBL23141133 0.87 KMT2A (1.00) KMT2AKDM4EMAPTLMNATSHR
Dl-Tryptophan SCHEMBL4732052 0.87 KMT2A (1.00) KMT2AKDM4EMAPTLMNATSHR
Dl-Tryptophan SCHEMBL19161120 0.87 KMT2A (1.00) KMT2AKDM4EMAPTLMNATSHR
Dl-Tryptophan SCHEMBL7327 0.87 KMT2A (1.00) KMT2AKDM4EMAPTLMNATSHR
Dl-Tryptophan SCHEMBL1120026 0.87 KMT2A (1.00) KMT2AKDM4EMAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048460-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY 2010-02-25 US disclosed
US-20100009916-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS BOKVIST BENGT KRISTER 2010-01-14 US disclosed
US-7582608-B2 Selective VPAC2 receptor peptide agonists ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-20090118167-A1 Selective Vpac2 Receptor Peptide Agonists ELI LILLY AND COMPANY PATENT DIVISION (US) 2009-05-07 US disclosed
US-20090082276-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY 2009-03-26 US disclosed
US-20080318845-A1 Selective Vpac2 Receptor Peptide Agonists ELI LILLY AND COMPANY (US) 2008-12-25 US disclosed
US-20080234198-A1 Selective Vpac2 Receptor Peptide Agonists ELI LILLY AND COMPANY 2008-09-25 US disclosed
US-20080194482-A1 Selective Apac2 Receptor Peptide Agonists ELI LILLY AND COMPANY 2008-08-14 US disclosed
EP-1942941-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2008-07-16 EP disclosed
US-20080146500-A1 Selective Vpac2 Receptor Peptide Agonists ELI LILLY AND COMPANY 2008-06-19 US disclosed
EP-1781692-A2 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2007-05-09 EP disclosed
WO-2007050651-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2007-05-03 WO disclosed
WO-2007021498-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2007-02-22 WO disclosed
EP-1753780-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2007-02-21 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
WO-2006023356-A2 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2006-03-02 WO disclosed
WO-2006023358-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2006-03-02 WO disclosed
WO-2006023367-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2006-03-02 WO disclosed
WO-2005113593-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2005-12-01 WO disclosed
US-3993795-A Process for fortifying foodstuffs with pro-lysines SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1976-11-23 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 (5 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 KMT2A 1733/4885KDM4E 1868/4885MAPT 585/4885
US-20080318845-A1 Selective Vpac2 Receptor Peptide Agonists VIPR2, VIPR1, GPR119 KMT2A 2699/4885KDM4E 2729/4885MAPT 3963/4885
US-20100048460-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS VIPR2, VIPR1, GPR119 KMT2A 2682/4885KDM4E 2686/4885MAPT 4106/4885
US-20080146500-A1 Selective Vpac2 Receptor Peptide Agonists VIPR2, VIPR1, GPR119 KMT2A 2682/4885KDM4E 2686/4885MAPT 4106/4885
US-20090118167-A1 Selective Vpac2 Receptor Peptide Agonists VIPR1, VIPR2, AVPR1A KMT2A 1761/4885KDM4E 2298/4885MAPT 2941/4885

“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.