SCHEMBL6922089

SCHEMBL6922089

CCOC(=O)CC(Cn1c2c(c3cc(Cl)ccc31)C1CCC(C2)N1C)c1ccncc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 2/20 0.35
MAPK8 P45983 1/20 0.34
HTR6 P50406 4/20 0.34
CNR1 P21554 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CCR4 P51679 1/20 0.32
NAMPT P43490 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6921931 0.91 KRAS (0.35) KRASHTR6PTGDR2NAMPT
SCHEMBL6920559 0.91 HTR6 (0.37) KRASHTR6PTGDR2NAMPT
SCHEMBL14733463 0.89 KRAS (0.38) KRASMAPK8HTR6PTGDR2NAMPT
SCHEMBL6921531 0.87 MAPK8 (0.34) KRASMAPK8HTR6CNR1PSEN1
SCHEMBL13834549 0.84 HTR6 (0.39) KRASHTR6ALDH1A1PTGDR2KDM4E
SCHEMBL14729250 0.83 KRAS (0.37) KRASMAPK8HTR6PTGDR2NAMPT
SCHEMBL6921458 0.82 HTR6 (0.36) HTR6CNR1ALDH1A1KDM4EHSD17B10
SCHEMBL13394683 0.82 CA12 (0.42) MAPK8HTR6CNR1PSEN1PSEN2
SCHEMBL6922091 0.81 HTR6 (0.36) HTR6ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL1082342 0.80 HTR6 (0.41) MAPK8HTR6PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 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 (6 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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KRAS 1316/4885MAPK8 1453/4885HTR6 22/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 KRAS 4179/4885MAPK8 2780/4885HTR6 47/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C KRAS 3056/4885MAPK8 2065/4885HTR6 88/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C KRAS 1316/4885MAPK8 1453/4885HTR6 22/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 KRAS 4179/4885MAPK8 2780/4885HTR6 47/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C KRAS 3036/4885MAPK8 2130/4885HTR6 85/4885

“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.