SCHEMBL681678

SCHEMBL681678

CC(C)N1CCC(OP(=O)(O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.41
INPP5A Q14642 1/20 0.40
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL13245937 0.89 HRH3 (0.40) HRH3INPP5A
SCHEMBL2737439 0.80 INPP5A (0.38) INPP5A
SCHEMBL6021173 0.79 INPP5A (0.36) INPP5A
SCHEMBL14565216 0.79 INPP5A (0.36) HRH3INPP5A
SCHEMBL685174 0.78 INPP5A (0.44) INPP5ACYP2D6
SCHEMBL10250894 0.74 HRH3 (0.37) HRH3CYP2D6KCNH2
SCHEMBL2238965 0.73
SCHEMBL15241628 0.73 LPAR3 (0.44) HRH3
SCHEMBL24407723 0.73 INPP5A (0.40) HRH3INPP5A
SCHEMBL13602505 0.73 INPP5A (0.40) INPP5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738042-B2 Phosphonamidates that are Bcl family antagonists for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer UNITY BIOTECHNOLOGY, INC. (US) 2020-08-11 US disclosed
US-20190330199-A1 Phosphonamidates that are Bcl Family Antagonists for Use in Clinical Management of Conditions Caused or Mediated By Senescent Cells and for Treating Cancer UNITY BIOTECHNOLOGY, INC. 2019-10-31 US disclosed
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CALITHERA BIOSCIENCES, INC. 2016-10-06 US disclosed
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents INTELLIKINE LLC 2016-10-06 US disclosed
US-9345706-B2 Benzoxazole kinase inhibitors and methods of use INTELLIKINE, LLC (US) 2016-05-24 US disclosed
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof INTELLIKINE LLC 2016-03-31 US disclosed
US-9296742-B2 Heterocyclic kinase inhibitors INTELLIKINE LLC (US) 2016-03-29 US disclosed
US-20140287031-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE, LLC (US) 2014-09-25 US disclosed
US-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140128599-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2014-05-08 US disclosed
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC (US) 2014-01-30 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS INTELLIKINE LLC (US) 2013-08-15 US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 US disclosed
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS INTELLIKINE, INC. (US) 2011-11-17 US disclosed
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-05-26 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 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 (16 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-20140206685-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 HRH3 1983/4885INPP5A 2080/4885CYP2D6 3111/4885
US-20140128599-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 HRH3 1923/4885INPP5A 2338/4885CYP2D6 2702/4885
US-20190330199-A1 Phosphonamidates that are Bcl Family Antagonists for Use in Clinical Management of Conditions Caused or Mediated By Senescent Cells and for Treating Cancer BAX, BCL2, TP53 HRH3 4867/4885INPP5A 378/4885CYP2D6 3735/4885
US-20160287595-A1 Combination Pharmaceutical Compositions and Uses Thereof CDC25C, CCNC, CDC25B HRH3 3535/4885INPP5A 1171/4885CYP2D6 2678/4885
US-20140287031-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR HRH3 1889/4885INPP5A 3465/4885CYP2D6 3948/4885
US-20130209543-A1 ENHANCED TREATMENT REGIMENS USING MTOR INHIBITORS RICTOR, MTOR, RPTOR HRH3 1889/4885INPP5A 3465/4885CYP2D6 3948/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 HRH3 1610/4885INPP5A 2491/4885CYP2D6 4668/4885
US-20110124641-A1 BENZOTHIAZOLE KINASE INHIBITORS AND METHODS OF USE MTOR, PDPK1, PIKFYVE HRH3 1308/4885INPP5A 2073/4885CYP2D6 4249/4885
US-20160089371-A1 Combination of Kinase Inhibitors and Uses Thereof MTOR, PIK3CA, AKT1 HRH3 1300/4885INPP5A 963/4885CYP2D6 4760/4885
US-20140030256-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE BMX, MTOR, PDPK1 HRH3 1923/4885INPP5A 2338/4885CYP2D6 2702/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA HRH3 3341/4885INPP5A 3125/4885CYP2D6 4793/4885
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS MPL, MTX2, SLC10A1 HRH3 1541/4885INPP5A 2521/4885CYP2D6 1340/4885
US-20160287597-A1 Treatment Regimens Using Multiple Pharmaceutical Agents MPL, MTX2, SLC10A1 HRH3 1541/4885INPP5A 2521/4885CYP2D6 1340/4885
US-10738042-B2 Phosphonamidates that are Bcl family antagonists for use in clinical management of conditions caused or mediated by senescent cells and for treating cancer BAX, BCL2, TP53 HRH3 4853/4885INPP5A 412/4885CYP2D6 3463/4885
US-20110281866-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K13, MAP3K3, CDK3 HRH3 1983/4885INPP5A 2080/4885CYP2D6 3111/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 HRH3 1834/4885INPP5A 1050/4885CYP2D6 4790/4885

“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.