SCHEMBL3459211

SCHEMBL3459211

OC[C@@H]1CCCN([C@@H](CO)c2ccccc2)[C@@H]1CO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.40
GBA1 P04062 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL13224040 1.00 OPRL1 (0.40) OPRL1GBA1MEN1KMT2A
SCHEMBL13224067 0.91 OPRL1 (0.37) OPRL1
SCHEMBL31649403 0.79 OPRL1 (0.41) OPRL1
SCHEMBL14389977 0.78 OPRL1 (0.40) OPRL1
SCHEMBL11947613 0.78 OPRL1 (0.40) OPRL1
SCHEMBL5347104 0.78 KDM4E (0.54) OPRL1
SCHEMBL14120027 0.74 OPRL1 (0.41) OPRL1MEN1KMT2A
SCHEMBL14120025 0.74 OPRL1 (0.41) OPRL1MEN1KMT2A
SCHEMBL12734546 0.73 CYP2D6 (0.41) OPRL1
SCHEMBL12734441 0.73 CYP2D6 (0.41) OPRL1

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
US-7781418-B2 enantiomerically pure (1R,6S)-2-Azabicyclo-[4.3.0]nonane-8,8-diphosphonic acid; osteoporosis, osteolytic bone metastasis, rheumatoid arthritis and osteoarthritis; enhanced inhibitory effect on farnesyl pyrophosphate synthase ISIS INNOVATION LTD. (GB) 2010-08-24 US claimed
EP-2089403-B1 (1R,6S)-2-AZABICYCLO[4.3.0] NONANE-8,8-DIPHOSPHONIC ACID AND ITS USE IN TREATING OR PREVENTING BONE DISORDERS, FOR EXAMPLE, OSTEOPOROSIS OR PAGET'S DISEASE ISIS INNOVATION (GB) 2014-05-07 EP disclosed
EP-2089403-B1 (1R,6S)-2-AZABICYCLO[4.3.0] NONANE-8,8-DIPHOSPHONIC ACID AND ITS USE IN TREATING OR PREVENTING BONE DISORDERS, FOR EXAMPLE, OSTEOPOROSIS OR PAGET'S DISEASE ISIS INNOVATION (GB) 2014-05-07 EP disclosed
US-7781418-B2 enantiomerically pure (1R,6S)-2-Azabicyclo-[4.3.0]nonane-8,8-diphosphonic acid; osteoporosis, osteolytic bone metastasis, rheumatoid arthritis and osteoarthritis; enhanced inhibitory effect on farnesyl pyrophosphate synthase ISIS INNOVATION LTD. (GB) 2010-08-24 US disclosed
US-7781418-B2 enantiomerically pure (1R,6S)-2-Azabicyclo-[4.3.0]nonane-8,8-diphosphonic acid; osteoporosis, osteolytic bone metastasis, rheumatoid arthritis and osteoarthritis; enhanced inhibitory effect on farnesyl pyrophosphate synthase ISIS INNOVATION LTD. (GB) 2010-08-24 US disclosed
US-7781418-B2 enantiomerically pure (1R,6S)-2-Azabicyclo-[4.3.0]nonane-8,8-diphosphonic acid; osteoporosis, osteolytic bone metastasis, rheumatoid arthritis and osteoarthritis; enhanced inhibitory effect on farnesyl pyrophosphate synthase ISIS INNOVATION LTD. (GB) 2010-08-24 US disclosed
US-20090069272-A1 Composition for treating bone disorders THE PROCTER & GAMBLE COMPANY AND UNIVERSITY OF ROCHESTER (US) 2009-03-12 US disclosed
US-20090069272-A1 Composition for treating bone disorders THE PROCTER & GAMBLE COMPANY AND UNIVERSITY OF ROCHESTER (US) 2009-03-12 US disclosed
US-20090069272-A1 Composition for treating bone disorders THE PROCTER & GAMBLE COMPANY AND UNIVERSITY OF ROCHESTER (US) 2009-03-12 US disclosed
WO-2008076417-A1 (1R,6S)-2-AZABICYCLO[4.3.0] NONANE-8,8-DIPHOSPHONIC ACID AND ITS USE IN TREATING OR PREVENTING BONE DISORDERS, FOR EXAMPLE, OSTEOPOROSIS OR PAGET'S DISEASE THE PROCTER & GAMBLE COMPANY (US) 2008-06-26 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-20090069272-A1 Composition for treating bone disorders ACP3, SOST, COL2A1 OPRL1 1287/4885GBA1 3252/4885MEN1 1705/4885

“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.