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SCHEMBL2059348

SCHEMBL2059348

N#CCC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.43
▸ MME P08473 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CTSS P25774 4/20 0.40
▸ CTSK P43235 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CTSC P53634 3/20 0.38
▸ CTSL P07711 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL13536393 1.00 MCL1 (0.43) MCL1MMEHPGDCTSSCTSK
SCHEMBL7766679 1.00 MCL1 (0.43) MCL1MMEHPGDCTSSCTSK
SCHEMBL2437662 0.88 MAOB (0.54) MAOB
SCHEMBL2435474 0.85 CTSL (0.42) MMECTSSCTSKCTSLCTSB
SCHEMBL15867239 0.84 MAOB (0.44) MCL1MMEHPGDCTSSCTSK
SCHEMBL8239573 0.83 ALDH1A1 (0.51) MCL1MMEHPGDCTSSCTSK
SCHEMBL6330627 0.80 CPA1 (0.45) HPGDALDH1A1CYP1A2KMT2AMEN1
SCHEMBL5169748 0.80 ALDH1A1 (0.46) HPGDALDH1A1CYP1A2KMT2AMEN1
SCHEMBL5169742 0.80 ALDH1A1 (0.46) HPGDALDH1A1CYP1A2KMT2AMEN1
SCHEMBL27686290 0.80 CPA1 (0.45) HPGDALDH1A1CYP1A2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729941-B1 Process for producing keto nitrile derivative and hexenone derivative TAKASAGO PERFUMERY CO LTD (JP) 2001-06-13 — — EP claimed
US-5688985-A Process for producing keto nitrile derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-11-18 — — US claimed
EP-0729941-A1 Process for producing keto nitrile derivative and hexenone derivative Takasago International Corporation (JP) 1996-09-04 — — EP claimed
JP-8295662-A — — None — — JP disclosed
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 — — US disclosed
CN-101440091-B Ritonavir water-soluble derivatives, synthesizing method and use thereof UNIV XIAMEN 2012-01-04 — — CN disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 — — EP disclosed
US-7968707-B2 Reacting an amino, hydroxy substituted amide with a heterocyclic substituted carboxylic acid to produce (2S,3S,5S)-2-(2,6-Dimethylphenoxyacetyl) amino-3-hydroxy-5-[2S-1-imidazolidin-2-onyl)-3-methyl-butanoyl] amino-1,6-diphenylhexane; inhibitors of HIV infection ABBOTT LABORATORIES (US) 2011-06-28 — — US disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 — — EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 — — US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 — — US disclosed
US-5565418-A PREPARING CARBAMATE INTERMEDIATES BY REACTING SUBSTITUTED HYDROXYDIAMINE COMPOUND WITH ONE AMINE PROTECTED WITH ACTIVATED ACYLATING AGENT, DEPROTECTING ABBOTT LABORATORIES (US) 1996-10-15 — — US disclosed
EP-0674513-B1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 1996-09-25 — — EP disclosed
EP-0729941-A1 Process for producing keto nitrile derivative and hexenone derivative Takasago International Corporation (JP) 1996-09-04 — — EP disclosed
EP-0729941-A1 Process for producing keto nitrile derivative and hexenone derivative Takasago International Corporation (JP) 1996-09-04 — — EP disclosed
US-5552558-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-09-03 — — US disclosed
EP-0727419-A2 Retroviral protease inhibiting compounds Abbott Laboratories (US) 1996-08-21 — — EP disclosed
US-5541206-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTION ABBOTT LABORATORIES (US) 1996-07-30 — — US disclosed
US-5539122-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1996-07-23 — — US disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 — — 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 (2 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-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MCL1 959/4885MME 115/4885HPGD 514/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MCL1 959/4885MME 115/4885HPGD 514/4885

“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.