SCHEMBL959698

SCHEMBL959698

[C]#CC#CCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.50
PTPN7 P35236 5/20 0.50
SELP P16109 1/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL2085451 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL2087018 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL3625740 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL2086784 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL2085382 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL2084107 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL3627707 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL2004715 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL2088202 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL3628315 1.00 HMGCR (0.50) HMGCRPTPN7SELPTSHRTHRB

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740724-B1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO PHARMACEUTICAL CO (JP) 2016-12-28 EP disclosed
EP-2308510-B1 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO (JP) 2016-03-16 EP disclosed
US-9085523-B2 Compound for treating cartilage disorders ONO PHARMACEUTICAL CO., LTD. (JP) 2015-07-21 US disclosed
US-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2014-06-19 US disclosed
EP-2740724-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS ONO Pharmaceutical Co., Ltd. (JP) 2014-06-11 EP disclosed
US-8501793-B2 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-06 US disclosed
US-8404858-B2 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-26 US disclosed
EP-2494990-A1 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO., LTD. (JP) 2012-09-05 EP disclosed
EP-2364982-A1 Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof ONO Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
US-20050095281-A1 Liposomal formulations and methods of use OPTIME THERAPEUTICS, INC. (US) 2005-05-05 US disclosed
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed
WO-2004082612-A2 LIPOSOMAL FORMULATIONS AND METHODS OF USE OPTIME THERAPEUTICS INC. (US) 2004-09-30 WO disclosed
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-06-03 US disclosed
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient PANASONIC CORPORATION (JP) 2004-05-20 US disclosed
EP-1156054-B1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-04-14 EP disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
US-6495533-B1 TUMOR NECROSIS FACTOR INHIBITORS; RHEUMATOID ARTHRITIS, ULCERATIVE COLITIS, CROHN'S DISEASE, HEPATITIS, SEPSIS, HEMORRHAGIC SHOCK, MULTIPLE SCLEROSIS, CEREBRAL INFARCTION, DIABETES, INTERSTITIAL PNEUMONIA, PAIN, HIV ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed
EP-1156054-A1 DRUGS CONTAINING PHOSPHORIC ACID DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 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 (5 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-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient NONO, NAA15, USO1 HMGCR 4004/4885PTPN7 404/4885SELP 4099/4885
US-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES PTGER3, PTGER2, PTGER1 HMGCR 2699/4885PTPN7 2554/4885SELP 3032/4885
US-20140171388-A1 COMPOUND FOR TREATING CARTILAGE DISORDERS COL2A1, COL1A1, ADAMTS1 HMGCR 110/4885PTPN7 3505/4885SELP 1004/4885
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient CXCR5, CCL11, ACKR3 HMGCR 4249/4885PTPN7 370/4885SELP 3197/4885
US-20050095281-A1 Liposomal formulations and methods of use LIPA, SGMS2, ABHD16A HMGCR 477/4885PTPN7 2498/4885SELP 1673/4885

“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.