SCHEMBL1808330

SCHEMBL1808330

O=C1c2cc([N+](=O)[O-])ccc2CC1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.47
S100A4 P26447 2/20 0.47
TDP2 O95551 1/20 0.44
HTR1A P08908 2/20 0.44
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PNMT P11086 4/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
DRD1 P21728 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL10907985 0.87 TDP2 (0.48) PTPRCS100A4TDP2CAPN9CASP3
SCHEMBL1811557 0.84 PTPRC (0.45) PTPRCS100A4TDP2HTR1ACAPN9
SCHEMBL20500978 0.84 PTPRC (0.45) PTPRCS100A4TDP2HTR1ACAPN9
SCHEMBL2246368 0.81 ACHE (0.58) PTPRCS100A4TDP2HTR1AALDH1A1
SCHEMBL1097849 0.75 TDP2 (0.46) PTPRCS100A4TDP2CAPN9CASP3
SCHEMBL15617648 0.75 PNMT (0.45) PTPRCS100A4TDP2HTR1APNMT
SCHEMBL17675410 0.74 METAP1 (0.44) PTPRCS100A4TDP2TDP1TLR9
SCHEMBL11563863 0.73 TSHR (0.39) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL9592880 0.73 ACHE (0.60) HTR1ACASP3ALDH1A1CYP3A4PNMT
Hydrochloric Acid SCHEMBL9591976 0.73 HTR1A (0.44) PTPRCS100A4TDP2HTR1ACYP3A4

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
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP disclosed
EP-1157014-B1 POLYCYCLIC 2-AMINO-DIHYDROTHIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENT AVENTIS PHARMA GMBH (DE) 2005-08-24 EP disclosed
EP-1157014-A1 POLYCYCLIC 2-AMINO-DIHYDROTHIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2001-11-28 EP disclosed
US-6235763-B1 THERAPY FOR EATING DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-22 US disclosed
WO-2000051994-A1 POLYCYCLIC 2-AMINO-DIHYDROTHIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed
US-4174397-A TREATMENT OF OBESITY AND LIPID METABOLISM DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-13 US 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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 PTPRC 3903/4885S100A4 2476/4885TDP2 4119/4885

“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.