SCHEMBL7219217

SCHEMBL7219217

Nc1ccc(CCN2CCC(N)C2=O)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
TDP1 Q9NUW8 4/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KCNJ1 P48048 5/20 0.38
KCNH2 Q12809 4/20 0.38
TSHR P16473 1/20 0.38
GALR3 O60755 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL7213515 1.00 HTR1A (0.40) HTR1ADRD2HTR2AHRH3TDP1
SCHEMBL7214344 0.88 POLB (0.42) TDP1POLBMAPTALDH1A1MEN1
SCHEMBL7215933 0.88 POLB (0.42) TDP1POLBMAPTALDH1A1MEN1
SCHEMBL7453627 0.84 HRH3 (0.57) HTR2AHRH3KCNJ1KCNH2
SCHEMBL7453632 0.84 HRH3 (0.57) HTR2AHRH3KCNJ1KCNH2
Hydrochloric Acid SCHEMBL7213524 0.83 HRH3 (0.56) HRH3KCNJ1KCNH2
Hydrochloric Acid SCHEMBL7213525 0.83 HRH3 (0.56) HRH3KCNJ1KCNH2
SCHEMBL16293628 0.78 HRH3 (0.64) HTR1ADRD2HTR2AHRH3TDP1
Ammonia Solution, Strong SCHEMBL28185355 0.78 HRH3 (0.64) HTR1ADRD2HTR2AHRH3TDP1
SCHEMBL7381397 0.78 KDM4E (0.42) HTR1ADRD2HTR2AHRH3TDP1

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
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
WO-2001039759-A2 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-07 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 HTR1A 1989/4885DRD2 4743/4885HTR2A 2338/4885

“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.