SCHEMBL2818013

SCHEMBL2818013

CCNc1cccnc1N1CCN(C(=O)c2cc3cc(O)ccc3[nH]2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
MAOA P21397 1/20 0.58
TBXA2R P21731 1/20 0.58
OPRM1 P35372 1/20 0.58
MDH1 P40925 1/20 0.58
KCNH2 Q12809 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
HRH4 Q9H3N8 5/20 0.55
PARP1 P09874 1/20 0.51
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
SYK P43405 3/20 0.45

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
Atevirdine Mesylate SCHEMBL29377031 0.88 HRH4 (0.57) ADRA2AADORA3CHRM1MAOATBXA2R
Atevirdine Mesylate SCHEMBL29365699 0.88 HRH4 (0.57) ADRA2AADORA3CHRM1MAOATBXA2R
Atevirdine Mesylate SCHEMBL356038 0.88 HRH4 (0.57) ADRA2AADORA3CHRM1MAOATBXA2R
Atevirdine Mesylate SCHEMBL146999 0.85 ADRA2A (0.59) ADRA2AADORA3CHRM1MAOATBXA2R
Atevirdine Mesylate SCHEMBL29636966 0.85 ADRA2A (0.59) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL18329597 0.83 ADRA2A (0.51) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8985882 0.81 PARP1 (0.49) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8924496 0.80 ADRA2A (0.58) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL12494603 0.80 ADRA2A (0.77) ADRA2AADORA3CHRM1MAOATBXA2R
SCHEMBL8793755 0.78 ADRA2A (0.55) ADRA2AADORA3CHRM1MAOATBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008104-A1 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-01-14 US claimed
EP-3664811-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2020-06-17 EP claimed
CN-111163783-A Compositions and methods for inhibiting HIV-1 reverse transcriptase 美国政府卫生与公众服务部 2020-05-15 CN claimed
WO-2019032749-A2 COMPOSITIONS AND METHODS FOR INHIBITING HIV-1 REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2019-02-14 WO claimed
US-9487476-B2 Catechol diethers as potent anti-HIV agents YALE UNIVERSITY (US) 2016-11-08 US claimed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US claimed
US-20140288017-A1 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-09-25 US claimed
US-8513205-B2 Potent chimeric NRTI-NNRTI bifunctional inhibitors of HIV-1 reverse transcriptase YALE UNIVERSITY (US) 2013-08-20 US claimed
WO-2013056003-A2 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS YALE UNIVERSITY (US) 2013-04-18 WO claimed
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE ANDERSON KAREN S (US) 2011-12-22 US claimed
WO-2009126293-A2 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE YALE UNIVERSITY (US) 2009-10-15 WO claimed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
CN-110291087-B Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degrading agents 阿尔维纳斯运营股份有限公司 2024-07-09 CN disclosed
US-11992531-B2 C3-carbon linked glutarimide degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2024-05-28 US disclosed
CN-112262134-B Cerebulin ligands and bifunctional compounds comprising same 阿尔维纳斯运营股份有限公司 2024-05-24 CN disclosed
US-20100168190-A1 Novel azoles and related derivatives as non-nucleoside reverse transcriptase inhibitors (nnrtis) in antiviral therapy (hiv) YALE UNIVERSITY (US) 2010-07-01 US disclosed
WO-2009126293-A2 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE YALE UNIVERSITY (US) 2009-10-15 WO disclosed
WO-2009005811-A1 NOVEL AZOLES AND RELATED DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS (NNRTIS) IN ANTIVIRAL THERAPY (HIV) YALE UNIVERSITY (US) 2009-01-08 WO disclosed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 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 (7 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-20140288017-A1 CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS COMT, NNMT, PNMT ADRA2A 2371/4885ADORA3 3664/4885CHRM1 1921/4885
US-20110312880-A1 POTENT CHIMERIC NRTI-NNRTI BIFUNCTIONAL INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE NAMPT, NAPRT, DNTT ADRA2A 3636/4885ADORA3 2598/4885CHRM1 4048/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ADRA2A 4442/4885ADORA3 3985/4885CHRM1 4416/4885
US-11992531-B2 C3-carbon linked glutarimide degronimers for target protein degradation STUB1, UBE3C, UBE3A ADRA2A 4338/4885ADORA3 3799/4885CHRM1 4310/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR ADRA2A 4001/4885ADORA3 2367/4885CHRM1 4115/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 ADRA2A 3559/4885ADORA3 1069/4885CHRM1 4537/4885
US-20100168190-A1 Novel azoles and related derivatives as non-nucleoside reverse transcriptase inhibitors (nnrtis) in antiviral therapy (hiv) OXA1L, POLRMT, PNP ADRA2A 4557/4885ADORA3 975/4885CHRM1 4761/4885

“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.