SCHEMBL6952096

SCHEMBL6952096

CCCCC(NC(=O)C(CC(=O)N(C)CCn1ccnc1)Cc1ccccc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.49
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MMP2 P08253 7/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
PADI4 Q9UM07 1/20 0.39

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
SCHEMBL7295712 0.87 REN (0.49) RENCNR1CNR2HDAC3HDAC4
SCHEMBL7299196 0.83 MMP2 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7292894 0.81 TACR2 (0.49) RENMMP2
SCHEMBL7289524 0.81 REN (0.50) RENCNR1CNR2ALDH1A1MMP2
SCHEMBL6976760 0.80 REN (0.47) RENALDH1A1HPGDDUSP3PTPN5
SCHEMBL7280901 0.80 REN (0.47) RENALDH1A1HPGDDUSP3PTPN5
SCHEMBL7426636 0.76 HRH4 (0.53) RENALDH1A1HPGDDUSP3PTPN5
SCHEMBL7301583 0.73 HDAC3 (0.45) CNR1CNR2HDAC3HDAC4HDAC1
SCHEMBL7293025 0.73 MMP8 (0.55) ALDH1A1MMP2MMP1MMP3
SCHEMBL7079946 0.72 REN (0.42) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20030130329-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension G.D. SEARLE & CO. 2003-07-10 US disclosed
US-20020115867-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension HANSON GUNNAR J (US) 2002-08-22 US disclosed
EP-0655059-B1 IMIDAZOLYL/BENZIMIDAZOLYL-TERMINATED ALKYLAMINO ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION SEARLE & CO (US) 1996-12-18 EP disclosed
EP-0655059-A1 IMIDAZOLYL/BENZIMIDAZOLYL-TERMINATED ALKYLAMINO ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION. SEARLE & CO (US) 1995-05-31 EP disclosed
US-5373017-A Renin inhibitor G. D. SEARLE & CO. (US) 1994-12-13 US disclosed
WO-1994004508-A1 IMIDAZOLYL/BENZIMIDAZOLYL-TERMINATED ALKYLAMINO ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 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 (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-20040087801-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension REN, AGTR1, AGTR2 REN 1/4885CNR1 1829/4885CNR2 1619/4885
US-20020115867-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension REN, AGT, AGTR1 REN 1/4885CNR1 1384/4885CNR2 1144/4885
US-20030130329-A1 Imidazolyl/benzimidazolyl-terminated alkylamino ethynyl alanine amino diol compounds for treatment of hypertension REN, AGTR1, AGTR2 REN 1/4885CNR1 1829/4885CNR2 1619/4885

“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.