SCHEMBL6873751

SCHEMBL6873751

N[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
SIRT6 Q8N6T7 2/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.53
ADRB1 P08588 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL2126870 1.00 MAPT (0.56) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL31669360 0.92 MAPT (0.49) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL4003076 0.91 MAPT (0.61) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL4003069 0.91 MAPT (0.61) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL2096047 0.90 MAPT (0.64) MAPTSIRT6ALDH1A1POLBADRB1
Hydrochloric Acid SCHEMBL5216171 0.89 MAPT (0.62) MAPTSIRT6ALDH1A1POLBADRB1
Trifluoroacetic Acid SCHEMBL3555102 0.88 MAPT (0.49) MAPTALDH1A1POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL3552142 0.88 MAPT (0.49) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL1750127 0.86 MAPT (0.58) MAPTSIRT6ALDH1A1POLBADRB1
SCHEMBL9984673 0.85 POLB (0.51) MAPTSIRT6ALDH1A1POLBADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404338-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES Aventis Pharma Deutschland GmbH (DE) 2004-04-07 EP disclosed
US-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes HERLING ANDREAS (DE) 2003-09-18 US disclosed
EP-0912520-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2003-05-07 EP disclosed
US-6559313-B2 Adenosine derivatives such as (1S,2R,3S,4R)-2,3-dihydroxy-4-(6-(1-(4-trifluormethylpyridin-2-yl)pyrrolidin-3(S)-yl-amino)purin-9-yl)cyclopentanecarboxylic acid isopropylamide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-06 US disclosed
WO-2002092093-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 WO disclosed
EP-1258247-A1 Adenosine analogues for the treatment of insulin resistance syndrome and diabetes Aventis Pharma Deutschland GmbH (DE) 2002-11-20 EP disclosed
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-25 US disclosed
US-6376472-B1 N6-SUBSTITUTED ADENOSINES AVENTIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed
EP-0912520-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1999-10-06 EP disclosed
EP-0912520-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998001426-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-15 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 (2 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-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes IAPP, GPR119, INSR MAPT 3978/4885SIRT6 503/4885ALDH1A1 1392/4885
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties HMGCR, TGFB1, APOB MAPT 3869/4885SIRT6 1214/4885ALDH1A1 388/4885

“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.