SCHEMBL6703122

SCHEMBL6703122

CNCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ ITGB2 P05107 2/20 0.34
▸ ICAM1 P05362 2/20 0.34
▸ ITGAL P20701 2/20 0.34
▸ MME P08473 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL6703120 1.00 SLC6A5 (0.35) SLC6A5PIN1ITGB2ICAM1ITGAL
SCHEMBL27693415 0.87 SLC6A5 (0.34) SLC6A5PIN1ITGB2ICAM1ITGAL
SCHEMBL4957716 0.87 SLC6A5 (0.36) SLC6A5PIN1HDAC6CPB2CPB1
SCHEMBL4182507 0.86 PIN1 (0.47) SLC6A5PIN1ITGB2ICAM1ITGAL
SCHEMBL4182503 0.86 PIN1 (0.47) SLC6A5PIN1ITGB2ICAM1ITGAL
SCHEMBL12780533 0.86 PIN1 (0.40) SLC6A5PIN1ITGB2ICAM1ITGAL
SCHEMBL6308761 0.85 PIN1 (0.34) SLC6A5PIN1ITGB2ICAM1ITGAL
SCHEMBL6308753 0.85 PIN1 (0.34) SLC6A5PIN1ITGB2ICAM1ITGAL
SCHEMBL29893883 0.85 PIN1 (0.34) SLC6A5PIN1MMEPOLBP2RY14
SCHEMBL4295456 0.84 ITGB3 (0.45) SLC6A5PIN1CPB2CPB1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110713515-B Metronidazole-sarcosyl-histidine dipeptide compound and preparation and application thereof 南京益唯森生物科技有限公司 2023-03-24 — — CN claimed
CN-110713515-A Metronidazole-sarcosyl-histidine dipeptide compound and preparation and application thereof 南京益唯森生物科技有限公司 2020-01-21 — — CN claimed
CN-110713515-B Metronidazole-sarcosyl-histidine dipeptide compound and preparation and application thereof 南京益唯森生物科技有限公司 2023-03-24 — — CN disclosed
CN-110713515-B Metronidazole-sarcosyl-histidine dipeptide compound and preparation and application thereof 南京益唯森生物科技有限公司 2023-03-24 — — CN disclosed
CN-110713515-B Metronidazole-sarcosyl-histidine dipeptide compound and preparation and application thereof 南京益唯森生物科技有限公司 2023-03-24 — — CN disclosed
CN-110713515-A Metronidazole-sarcosyl-histidine dipeptide compound and preparation and application thereof 南京益唯森生物科技有限公司 2020-01-21 — — CN disclosed
US-20040220272-A1 Propargyl glycine amino propargyl diol compounds for treatment of hypertension G.D. SEARLE & CO. 2004-11-04 — — US disclosed
US-20040192780-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension G.D. SEARLE & CO. 2004-09-30 — — US disclosed
US-6777572-B2 PROPARGYL GLYCINE AMINO PROPARGYL DIOL DERIVATIVES ARE USEFUL AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION. PHARMACIA CORPORATION (OF PFIZER INC.) 2004-08-17 — — US disclosed
US-20040087801-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension G.D. SEARLE & CO. 2004-05-06 — — US disclosed
US-20030236201-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension G.D. SEARLE & CO. 2003-12-25 — — US disclosed
US-5268391-A Cardiovascular disorders C. D. SEARLE & CO. (US) 1993-12-07 — — US disclosed
US-5252591-A Renin inhibitors G. D. SEARLE & COMPANY 1993-10-12 — — US disclosed
US-5246969-A Oligopeptides as renin inhibitors G. D. SEARLE & CO. (US) 1993-09-21 — — US disclosed
US-5227401-A ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-07-13 — — US disclosed
US-5223535-A Renin inhibitors G. D. SEARLE & CO. (US) 1993-06-29 — — US disclosed
US-5212185-A Enzyme inhibitors G. D. SEARLE & CO. (US) 1993-05-18 — — US disclosed
WO-1993009086-A1 PROPARGYL GLYCINE AMINO PROPARGYL DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 — — WO disclosed
WO-1993009087-A1 ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 — — WO disclosed
EP-0539976-A1 Ethynyl-alanine-amino-diol compounds for treatment of hypertension G.D. Searle & Co. (US) 1993-05-05 — — 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 (4 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-20040087801-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension REN, AGTR1, AGTR2 SLC6A5 288/4885PIN1 1332/4885ITGB2 2420/4885
US-20040220272-A1 Propargyl glycine amino propargyl diol compounds for treatment of hypertension REN, AGTR1, AGTR2 SLC6A5 149/4885PIN1 2799/4885ITGB2 2464/4885
US-20030236201-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension REN, AGTR1, AGTR2 SLC6A5 57/4885PIN1 4234/4885ITGB2 2700/4885
US-20040192780-A1 Alkylaminoalkyl-terminated sulfide/sulfonyl-containing propargyl amino-diol compounds for treatment of hypertension REN, AGTR1, AGTR2 SLC6A5 57/4885PIN1 4234/4885ITGB2 2700/4885

“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.

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