SCHEMBL8349346

SCHEMBL8349346

O=C1CCN(C(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
HPGD P15428 1/20 0.68
AKR1C1 Q04828 1/20 0.66
LMNA P02545 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 3/20 0.59
HTT P42858 3/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 3/20 0.57

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
Ethylene SCHEMBL8518097 0.97 TSHR (0.64) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL4310722 0.88 TSHR (0.84) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL7218802 0.85 HPGD (0.73) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL10197843 0.83 HPGD (0.71) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL29941490 0.83 HPGD (0.71) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL1588162 0.82 TSHR (0.69) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL1375290 0.81 TSHR (0.68) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL4548025 0.81 TSHR (1.00) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL20021992 0.81 TSHR (0.68) TSHRHPGDAKR1C1LMNANPC1
SCHEMBL31428791 0.81 TSHR (0.68) TSHRHPGDAKR1C1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703957-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA NV (BE) 2014-04-22 US disclosed
US-8703957-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA NV (BE) 2014-04-22 US disclosed
US-20130281407-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES JANSSEN PHARMACEUTICA NV (BE) 2013-10-24 US disclosed
US-20130281407-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES JANSSEN PHARMACEUTICA NV (BE) 2013-10-24 US disclosed
US-8497373-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2013-07-30 US disclosed
US-8497373-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2013-07-30 US disclosed
US-8461195-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-11 US disclosed
US-8461195-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-11 US disclosed
US-8394804-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8394804-B2 Phosphonic acid compounds as inhibitors of serine proteases JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-20090118508-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2009-05-07 US disclosed
US-20090118508-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2009-05-07 US disclosed
US-20090118235-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2009-05-07 US disclosed
US-20090118235-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2009-05-07 US disclosed
US-20090118234-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2009-05-07 US disclosed
US-20090118504-A1 Novel phosphonic acid compounds as inhibitors of serine proteases GRECO MICHAEL N 2009-05-07 US disclosed
US-7459461-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-02 US disclosed
US-7459461-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-12-02 US disclosed
WO-2003035654-A1 PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-05-01 WO disclosed
CN-1204327-A Pharmaceutically active quinazoline compounds ASTRA PHARMA PROD (GB) 1999-01-06 CN 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-20090118508-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 TSHR 4753/4885HPGD 919/4885AKR1C1 3145/4885
US-20130281407-A1 NOVEL PHOSPHONIC ACID COMPOUNDS AS INHIBITORS OF SERINE PROTEASES HPN, PRSS1, SERPINB1 TSHR 4753/4885HPGD 919/4885AKR1C1 3145/4885
US-20090118235-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 TSHR 4753/4885HPGD 919/4885AKR1C1 3145/4885
US-20090118234-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 TSHR 4753/4885HPGD 919/4885AKR1C1 3145/4885
US-20090118504-A1 Novel phosphonic acid compounds as inhibitors of serine proteases HPN, PRSS1, SERPINB1 TSHR 4753/4885HPGD 919/4885AKR1C1 3145/4885

“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.