SCHEMBL4466003

SCHEMBL4466003

O=C(O)c1cnc2cc(C(F)(F)F)ccc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PARP1 P09874 1/20 0.44
CSF1R P07333 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE6D O43924 1/20 0.42
PDE5A O76074 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE6H Q13956 1/20 0.42
CCR9 P51686 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL7555337 0.89 DHODH (0.46) SORT1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30592902 0.84 ALDH1A1 (0.46) SORT1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3887756 0.84 ALDH1A1 (0.46) SORT1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1644467 0.83 THRB (0.46) SORT1ALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL11870232 0.83 ALDH1A1 (0.45) SORT1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL438818 0.83 ALDH1A1 (0.53) SORT1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL429137 0.81 PDE5A (0.60) KDM4EMEN1KMT2APDE6DPDE5A
SCHEMBL1178728 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10CYP1A2
SCHEMBL25311292 0.78 DHODH (0.43) SORT1ALDH1A1KDM4ECSF1RMEN1
SCHEMBL15215112 0.78 ALDH1A1 (0.46) SORT1ALDH1A1KDM4EHSD17B10PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
US-7553848-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-06-30 US disclosed
EP-1725529-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN Amgen Inc. (US) 2006-11-29 EP disclosed
WO-2005070885-A1 BIS BICYCLIC AMIDES AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS OF INFLAMMATORY AND NEUROPATIC PAIN AMGEN INC. (US) 2005-08-04 WO disclosed
US-20050165046-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US disclosed
US-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
US-4727152-A Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1988-02-23 US disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
CN-86100964-A The preparation method of piperidine compounds 1986-10-08 CN disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 US disclosed
US-4592866-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1986-06-03 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-20050165046-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 SORT1 2071/4885ALDH1A1 3014/4885HPGD 629/4885

“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.