Sugi Predict

Sugi Predict / Compounds / SCHEMBL4926658

SCHEMBL4926658

SCHEMBL4926658

N#Cc1ccccc1-n1cnnn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NOTUM Q6P988 2/20 0.48
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ KCNN4 O15554 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ F2 P00734 1/20 0.38

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
SCHEMBL12615992 0.80 ALDH1A1 (0.68) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL5480877 0.77 NOTUM (0.49) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL29792818 0.77 NOTUM (0.49) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL28549349 0.77 ALDH1A1 (0.41) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL30633068 0.75 NOTUM (0.42) NOTUMKDM4EMAPT
SCHEMBL1587098 0.75 NOTUM (0.42) NOTUMKDM4EMAPT
SCHEMBL5854751 0.75 ALDH1A1 (0.49) ALDH1A1NPSR1NOTUMKMT2AKDM4E
SCHEMBL16122376 0.73 KCNJ1 (0.45) ALDH1A1NPSR1KMT2AKDM4EMAPT
SCHEMBL1611233 0.73 KCNJ1 (0.54) ALDH1A1NPSR1KMT2AKDM4EMEN1
SCHEMBL6078473 0.73 NOTUM (0.51) ALDH1A1NPSR1NOTUMKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 — — US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 — — US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 — — US disclosed
CN-101128439-A 1,6 - substituted (3r,6r) -3- (2,3-dihydro-1h-inden-2-yl)-2,5-piperazinedione derivatives as oxytocin receptor antagonists for the treatment of pre-term labour, dysmenorrhea and endometriosis GLAXO GROUP LTD (GB) 2008-02-20 — — CN disclosed
EP-1831183-A1 1,6-SUBSTITUTED (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2007-09-12 — — EP disclosed
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 — — US disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 — — WO disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 — — WO disclosed
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 — — US disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 — — US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 — — US disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 — — US disclosed
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 — — US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 — — 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-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 ALDH1A1 642/4885NPSR1 86/4885NOTUM 3885/4885
US-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 ALDH1A1 3936/4885NPSR1 772/4885NOTUM 1910/4885
US-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI ALDH1A1 4206/4885NPSR1 989/4885NOTUM 1305/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI ALDH1A1 3527/4885NPSR1 1603/4885NOTUM 670/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 ALDH1A1 2954/4885NPSR1 309/4885NOTUM 1633/4885

“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.