SCHEMBL438837

SCHEMBL438837

O=C(Nc1cc2ccccc2cc1C(=O)N1CCC(n2c(=O)[nH]c3ccc(Cl)cc32)CC1)C(c1cccc2ccccc12)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.48
CHRM1 P11229 5/20 0.44
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
CTSG P08311 3/20 0.42
MASP2 O00187 1/20 0.42
CMA1 P23946 2/20 0.42
TNKS O95271 4/20 0.41
PARP2 Q9UGN5 4/20 0.41
HSD11B1 P28845 3/20 0.41
OPRM1 P35372 2/20 0.41
PARP1 P09874 2/20 0.40

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
SCHEMBL1051338 0.92 HSD11B1 (0.49) AVPR1ACHRM1PLD2PLD1HSD11B1
SCHEMBL13489657 0.90 AVPR1A (0.46) AVPR1ACHRM1PLD2PLD1TNKS
SCHEMBL10198071 0.90 AVPR1A (0.46) AVPR1ACHRM1PLD2PLD1TNKS
SCHEMBL13996311 0.87 AVPR1A (0.48) AVPR1ACHRM1PLD2PLD1TNKS
SCHEMBL13490140 0.82 ALDH1A1 (0.41) AVPR1ACHRM1PLD2PLD1TNKS
SCHEMBL13996306 0.81 AVPR1A (0.46) AVPR1ACHRM1PLD2PLD1TNKS
SCHEMBL438838 0.80 AVPR1A (0.47) AVPR1ACHRM1PLD2PLD1TNKS
SCHEMBL997555 0.78 CTSG (0.52) AVPR1ACTSGMASP2CMA1
SCHEMBL999784 0.77 MEN1 (0.47) CTSGMASP2CMA1TNKSPARP2
SCHEMBL1052408 0.76 KDM4E (0.48) CTSGMASP2CMA1HSD11B1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222431-B2 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-17 US claimed
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US claimed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
EP-1716160-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 EP disclosed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 AVPR1A 3879/4885CHRM1 3056/4885PLD2 4735/4885
US-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 AVPR1A 3879/4885CHRM1 3056/4885PLD2 4735/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 AVPR1A 3879/4885CHRM1 3056/4885PLD2 4735/4885
US-20090124801-A1 Process for synthesizing phosphonic and phosphinic acid compounds CMA1, PPA1, CPN1 AVPR1A 3819/4885CHRM1 4125/4885PLD2 796/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 AVPR1A 3879/4885CHRM1 3056/4885PLD2 4735/4885

“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.