SCHEMBL1011976

SCHEMBL1011976

O=Cc1ccc([N+](=O)[O-])cc1OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
ERN1 O75460 2/20 0.42
DRD4 P21917 3/20 0.41
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.39
CYP19A1 P11511 2/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL1011977 1.00 PRMT5 (0.47) PRMT5WDR77ALDH1A1MAPTERN1
SCHEMBL3997845 0.90 PRMT5 (0.47) PRMT5WDR77ALDH1A1MAPTERN1
SCHEMBL30729437 0.82 HTT (0.53) PRMT5WDR77ALDH1A1DRD4PKM
SCHEMBL11488932 0.81 PRMT5 (0.49) PRMT5WDR77ALDH1A1MAPTDRD4
SCHEMBL20786636 0.81 PRMT5 (0.49) PRMT5WDR77ALDH1A1ERN1DRD4
SCHEMBL19462473 0.80 DRD4 (0.60) PRMT5WDR77ALDH1A1MAPTDRD4
SCHEMBL19461879 0.80 DRD4 (0.60) PRMT5WDR77ALDH1A1MAPTDRD4
SCHEMBL1531274 0.80 DRD4 (0.54) PRMT5WDR77ALDH1A1MAPTDRD4
SCHEMBL1531394 0.80 DRD4 (0.54) PRMT5WDR77ALDH1A1MAPTDRD4
SCHEMBL3701823 0.80 MAPT (0.51) PRMT5WDR77ALDH1A1MAPTDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542692-B1 AMINOPYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC (US) 2011-01-05 EP disclosed
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-7396831-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-07-08 US disclosed
US-7053088-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-05-30 US disclosed
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 EP disclosed
US-20040038969-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-02-26 US disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 WO disclosed
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 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 (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-20040038969-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PRMT5 4307/4885WDR77 4850/4885ALDH1A1 3105/4885
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PRMT5 4413/4885WDR77 4838/4885ALDH1A1 3238/4885
US-20050277646-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 PRMT5 4413/4885WDR77 4838/4885ALDH1A1 3238/4885

“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.