SCHEMBL6562147

SCHEMBL6562147

O=[N+]([O-])c1cc(N2CCNCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.69
SIRT6 Q8N6T7 1/20 0.69
HTR7 P34969 2/20 0.57
HTR1A P08908 1/20 0.57
MAPT P10636 7/20 0.54
RECQL P46063 1/20 0.54
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP3A4 P08684 1/20 0.49
SLC6A4 P31645 1/20 0.49
THPO P40225 1/20 0.49
HTR3A P46098 1/20 0.49

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
Hydrochloric Acid SCHEMBL3258109 0.87 ADRB1 (0.58) ADRB1SIRT6HTR7HTR1AMAPT
SCHEMBL15542432 0.85 ADRB1 (0.67) ADRB1SIRT6HTR7HTR1AMAPT
Hydrochloric Acid SCHEMBL20568855 0.83 ADRB1 (0.65) ADRB1SIRT6HTR7HTR1AMAPT
SCHEMBL519878 0.83 HTR1A (0.72) ADRB1SIRT6HTR7HTR1AMAPT
Hydrochloric Acid SCHEMBL1364478 0.82 HTR1A (0.70) ADRB1SIRT6HTR7HTR1AMAPT
SCHEMBL7526992 0.81 SIRT6 (1.00) ADRB1SIRT6HTR7HTR1AMAPT
SCHEMBL336262 0.81 SIRT6 (1.00) ADRB1SIRT6HTR7HTR1AMAPT
SCHEMBL25408941 0.80 SMN1; SMN2 (0.53) ADRB1SIRT6HTR7HTR1AMAPT
SCHEMBL20569491 0.80 SMN1; SMN2 (0.65) ADRB1SIRT6HTR7HTR1AMAPT
SCHEMBL1496058 0.80 SIRT6 (0.96) ADRB1SIRT6HTR7HTR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075469-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-05-26 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 US disclosed
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 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 (1 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS ADRB1 767/4885SIRT6 3523/4885HTR7 1628/4885

“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.