SCHEMBL1500607

SCHEMBL1500607

O=c1[nH]nc(-c2c[c]ccc2)o1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 20/20 0.64

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
SCHEMBL1500521 0.79 NOTUM (0.67) NOTUM
SCHEMBL5542637 0.78 NOTUM (1.00) NOTUM
SCHEMBL5542943 0.75 NOTUM (0.92) NOTUM
SCHEMBL30936946 0.71 ALDH1A1 (0.66) NOTUM
SCHEMBL13050395 0.70 NOTUM (0.67) NOTUM
SCHEMBL2291570 0.70 NOTUM (0.67) NOTUM
SCHEMBL18395243 0.70 NOTUM (1.00) NOTUM
SCHEMBL4392841 0.70 NOTUM (0.68) NOTUM
Neovadrine SCHEMBL5537403 0.69 NOTUM (0.69) NOTUM
SCHEMBL3270146 0.69 NOTUM (0.74) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430386-C Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2008-11-05 CN claimed
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 EP claimed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US claimed
CN-1735605-A Phenylalanine derivative is used for the treatment of or prevent diabetes as depeptidyl peptidase inhibitors MERCK & CO INC (US) 2006-02-15 CN claimed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 US claimed
EP-1562925-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-08-17 EP claimed
WO-2004043940-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-27 WO claimed
US-7906652-B2 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 US disclosed
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 US disclosed
CN-101365694-A Heterocycle-substituted 3-alkyl azetidine derivatives MERCK & CO INC (US) 2009-02-11 CN disclosed
CN-100430386-C Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2008-11-05 CN disclosed
EP-1960392-A2 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES Merck & Co., Inc. (US) 2008-08-27 EP disclosed
WO-2007064566-A2 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2007-06-07 WO disclosed
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 US disclosed
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 EP disclosed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US disclosed
CN-1735605-A Phenylalanine derivative is used for the treatment of or prevent diabetes as depeptidyl peptidase inhibitors MERCK & CO INC (US) 2006-02-15 CN disclosed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 US disclosed
EP-1562925-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-08-17 EP disclosed
WO-2004043940-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-27 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-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives CNR1, CNR2, FAAH NOTUM 2413/4885
US-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH NOTUM 1960/4885
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 NOTUM 519/4885

“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.