SCHEMBL672415

SCHEMBL672415

Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.55
ABCC3 O15438 1/20 0.55
ABCC4 O15439 1/20 0.55
ABCB11 O95342 1/20 0.55
PGR P06401 1/20 0.55
ABCB1 P08183 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM1 P11229 1/20 0.55
TBXA2R P21731 1/20 0.55
ADRA1A P35348 1/20 0.55
OPRM1 P35372 1/20 0.55
HTR2B P41595 1/20 0.55
KCNH2 Q12809 1/20 0.55
SCN5A Q14524 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
KMT2A Q03164 3/20 0.53
SCN4A P35499 2/20 0.52
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL10031780 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL22305236 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL7387546 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL7600467 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL7810245 1.00 ADORA3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL5838534 0.95 ABCC3 (0.55) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL4956494 0.89 CYP3A4 (0.57) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL5373760 0.89 ABCC3 (0.47) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL13536317 0.88 ABCC3 (0.58) ADORA3ABCC3ABCC4ABCB11PGR
SCHEMBL30261823 0.88 ABCC3 (0.65) ADORA3ABCC3ABCC4ABCB11PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1170289-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 2002-01-09 EP claimed
CN-110903249-B Lopinavir prepared by one-pot method 厦门蔚嘉制药有限公司 2021-05-25 CN disclosed
CN-111018791-B Novel method for preparing lopinavir 厦门蔚嘉制药有限公司 2021-05-25 CN disclosed
CN-111018791-A Novel method for preparing lopinavir 厦门蔚嘉制药有限公司 2020-04-17 CN disclosed
CN-110903249-A Lopinavir prepared by one-pot method 厦门蔚嘉制药有限公司 2020-03-24 CN disclosed
US-20140303369-A1 Crystalline Pharmaceutical ABBVIE INC (US) 2014-10-09 US disclosed
US-8796451-B2 Crystalline pharmaceutical ABBVIE INC. (US) 2014-08-05 US disclosed
EP-2393786-B1 NOVEL POLYMORPHS OF LOPINAVIR HETERO RESEARCH FOUNDATION (IN) 2014-01-22 EP disclosed
US-8445506-B2 Polymorphs of lopinavir HETERO RESEARCH FOUNDATION (IN) 2013-05-21 US disclosed
US-20120108529-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-05-03 US disclosed
WO-2010089753-A2 NOVEL POLYMORPHS OF LOPINAVIR HETERO RESEARCH FOUNDATION (IN) 2010-08-12 WO disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 US disclosed
US-20070027172-A1 Crystalline pharmaceutical ABBOTT LABORATORIES 2007-02-01 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
WO-2006100552-A1 PROCESSES FOR THE PREPARATION OF LOPINAVIR AND ITS INTERMEDIATE - (S)-TETRAHYDRO-ALPHA-(1-METHYLETHYL)-2-OXO-1(2H)-PYRIMIDINEACETIC ACID RANBAXY LABORATORIES LIMITED (IN) 2006-09-28 WO disclosed
WO-2006100552-A1 PROCESSES FOR THE PREPARATION OF LOPINAVIR AND ITS INTERMEDIATE - (S)-TETRAHYDRO-ALPHA-(1-METHYLETHYL)-2-OXO-1(2H)-PYRIMIDINEACETIC ACID RANBAXY LABORATORIES LIMITED (IN) 2006-09-28 WO disclosed
WO-2006090264-A1 A PROCESS FOR THE SYNTHESIS OF 2-AMINO-5-PROTECTED AMINO-3-HYDROXY-1, 6-DIPHENYLHEXANE OR A SALT THEREOF - AN INTERMEDIATE FOR ANTIVIRAL DRUGS RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 WO disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 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 (4 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-20140303369-A1 Crystalline Pharmaceutical PYGL, ACE, HDLBP ADORA3 2140/4885ABCC3 113/4885ABCC4 133/4885
US-20120108529-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP ADORA3 4697/4885ABCC3 4439/4885ABCC4 4714/4885
US-20070027172-A1 Crystalline pharmaceutical PYGL, ACE, HDLBP ADORA3 2140/4885ABCC3 112/4885ABCC4 133/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 ADORA3 3601/4885ABCC3 2688/4885ABCC4 2595/4885

“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.