SCHEMBL668712

SCHEMBL668712

CCCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.54
AGTR2 P50052 6/20 0.54
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
ABCB11 O95342 1/20 0.52
CYP3A4 P08684 1/20 0.52
PDE4D Q08499 1/20 0.52
PDE3A Q14432 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SLCO1B1 Q9Y6L6 1/20 0.52

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
SCHEMBL668336 0.96 AGTR1 (0.57) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668511 0.92 AGTR1 (0.51) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL667461 0.92 AGTR1 (0.53) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7885241 0.91 AGTR1 (0.49) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7885252 0.91 AGTR1 (0.49) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL683727 0.91 AGTR1 (0.58) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL12991421 0.90 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL986792 0.90 AGTR1 (0.62) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL668491 0.90 AGTR1 (0.51) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL3842922 0.89 AGTR2 (0.55) AGTR1AGTR2

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
US-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER OSAKA UNIVERSITY (JP) 2012-11-29 US claimed
US-20100130567-A1 MEDICAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER 'S DISEASE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US claimed
EP-2174666-A1 MEDICINAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER'S DISEASE Daiichi Sankyo Company, Limited (JP) 2010-04-14 EP claimed
EP-1884240-B1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE DAIICHI SANKYO CO LTD (JP) 2009-11-11 EP claimed
US-20090082411-A1 Pharmaceutical for prevention or treatment of bone metabolic disease DAIICHI SANKYO COMPANY, LIMITED (75% INTEREST) (JP) 2009-03-26 US claimed
EP-1884240-A1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE Daiichi Sankyo Company, Limited (JP) 2008-02-06 EP claimed
US-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER OSAKA UNIVERSITY (JP) 2012-11-29 US disclosed
US-20120046327-A1 METHOD FOR INHIBITING THE INDUCTION AND FORMATION OF OSTEOCLASTS OSAKA UNIVERSITY (JP) 2012-02-23 US disclosed
US-20100130567-A1 MEDICAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER 'S DISEASE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
EP-2174666-A1 MEDICINAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER'S DISEASE Daiichi Sankyo Company, Limited (JP) 2010-04-14 EP disclosed
EP-1884240-B1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE DAIICHI SANKYO CO LTD (JP) 2009-11-11 EP disclosed
US-20090082411-A1 Pharmaceutical for prevention or treatment of bone metabolic disease DAIICHI SANKYO COMPANY, LIMITED (75% INTEREST) (JP) 2009-03-26 US disclosed
EP-1884240-A1 PHARMACEUTICAL FOR PREVENTION OR TREATMENT OF BONE METABOLIC DISEASE Daiichi Sankyo Company, Limited (JP) 2008-02-06 EP 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 (4 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-20100130567-A1 MEDICAL AGENT FOR PREVENTION OR TREATMENT OF ALZHEIMER 'S DISEASE AGTR1, AGTR2, ACE AGTR1 1/4885AGTR2 2/4885ABCC3 1034/4885
US-20120046327-A1 METHOD FOR INHIBITING THE INDUCTION AND FORMATION OF OSTEOCLASTS SOST, CD14, MYD88 AGTR1 35/4885AGTR2 64/4885ABCC3 4200/4885
US-20120302614-A1 METHOD FOR IMPROVING CEREBRAL CIRCULATION OR TREATING A CEREBRAL BLOOD FLOW DISORDER AGTR2, AGTR1, BDKRB2 AGTR1 2/4885AGTR2 1/4885ABCC3 1984/4885
US-20090082411-A1 Pharmaceutical for prevention or treatment of bone metabolic disease AGTR1, AGTR2, MC2R AGTR1 1/4885AGTR2 2/4885ABCC3 2336/4885

“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.