SCHEMBL6224728

SCHEMBL6224728

CN(CCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 20/20 1.00
GGPS1 O95749 2/20 0.82
AGTR1 P30556 1/20 0.53
OPRM1 P35372 1/20 0.53
PDE3A Q14432 1/20 0.53

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
SCHEMBL6224119 0.91 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9501730 0.91 FDPS (0.84) FDPSGGPS1
SCHEMBL9394634 0.90 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9394781 0.89 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9397371 0.89 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL6222753 0.89 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9730804 0.88 FDPS (0.97) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9554030 0.85 FDPS (0.74) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9501127 0.83 FDPS (0.83) FDPSGGPS1AGTR1OPRM1PDE3A
SCHEMBL9152494 0.81 FDPS (0.67) FDPSGGPS1AGTR1OPRM1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854724-B1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 2005-03-16 EP claimed
US-6255288-B1 THERAPY FOR BONE DISORDERS NOVARTIS CORPORATION 2001-07-03 US claimed
US-6057306-A ADMINISTERING BISPHOSPHONATES TO TREAT BONE DISEASE NOVARTIS CORPORATION (US) 2000-05-02 US claimed
EP-0600834-A1 Use of methanebisphosphonic acid derivatives for the manufacture of a medicament for fracture healing CIBA-GEIGY AG (CH) 1994-06-08 EP claimed
EP-0550385-A1 Oral pharmaceutical compositions containing derivatives of methane-diphosphonic acid and 18-crown-6 ethers CIBA-GEIGY AG (CH) 1993-07-07 EP claimed
US-5133972-A TOPICALLY ADMINISTRABLE PHARMACEUTICAL PREPARATIONS CIBA-GEIGY CORPORATION (US) 1992-07-28 US claimed
EP-0407344-A2 Pharmaceutical preparation for topical application CIBA-GEIGY AG (CH) 1991-01-09 EP claimed
US-8012949-B2 Pyridinium-1-yl, quinolinium-1-yl, and related compounds; parasitic infections, for example against trypanosomes; inhibiting the enzyme farnesyl diphosphate synthase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-06 US disclosed
US-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-10-16 US disclosed
EP-0854724-B1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6255288-B1 THERAPY FOR BONE DISORDERS NOVARTIS CORPORATION 2001-07-03 US disclosed
EP-0854724-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES Novartis AG (CH) 1998-07-29 EP disclosed
WO-1997012619-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 1997-04-10 WO disclosed
EP-0600834-A1 Use of methanebisphosphonic acid derivatives for the manufacture of a medicament for fracture healing CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
US-5296475-A Methanediphosphonic acids and crown compounds for treatment of bone disorders or hypercalcemia CIBA-GEIGY CORPORATION (US) 1994-03-22 US disclosed
EP-0550385-A1 Oral pharmaceutical compositions containing derivatives of methane-diphosphonic acid and 18-crown-6 ethers CIBA-GEIGY AG (CH) 1993-07-07 EP disclosed
EP-0320455-B1 ARALIPHATYL AMINOALCANE DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed
US-5190930-A Calcium metabolism disorder CIBA-GEIGY CORPORATION (US) 1993-03-02 US disclosed
US-5133972-A TOPICALLY ADMINISTRABLE PHARMACEUTICAL PREPARATIONS CIBA-GEIGY CORPORATION (US) 1992-07-28 US disclosed
US-5110807-A Calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1992-05-05 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-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS GGPS1, FDPS, FNTA FDPS 2/4885GGPS1 1/4885AGTR1 2734/4885

“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.