SCHEMBL1288198

SCHEMBL1288198

COc1ccnc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 1.00
CYP2C19 P33261 6/20 0.70
CYP2C9 P11712 5/20 0.70
CYP3A4 P08684 3/20 0.62
CFTR P13569 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2B6 P20813 1/20 0.46
KCNH2 Q12809 1/20 0.46
GHSR Q92847 3/20 0.44
BTK Q06187 2/20 0.41
SLC6A7 Q99884 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1287941 1.00 CYP2D6 (1.00) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL6436835 1.00 CYP2D6 (1.00) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL6435292 0.92 CYP2D6 (0.85) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL12033031 0.91 CYP2D6 (0.83) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL6435048 0.91 CYP2D6 (0.83) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL23386739 0.91 CYP2D6 (0.83) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL1688350 0.90 CYP2D6 (0.82) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL6431743 0.89 CYP2D6 (0.80) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL6431636 0.89 CYP2D6 (0.80) CYP2D6CYP2C19CYP2C9CYP3A4CFTR
SCHEMBL20682768 0.88 CYP2D6 (0.79) CYP2D6CYP2C19CYP2C9CYP3A4CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140050793-A1 Novel Compositions for Inhibiting Virus Entry and Promoting Virolysis, and Methods Thereof DREXEL UNIVERSITY (US) 2014-02-20 US claimed
WO-2009011912-A1 A COMPOSITION FOR TREATING HIV COMPRISING VIRUS-LIKE PARTICLES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO claimed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US claimed
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2024-01-02 US disclosed
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2024-01-02 US disclosed
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2024-01-02 US disclosed
US-20220089579-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS UNIV YALE (US) 2022-03-24 US disclosed
WO-2021222069-A1 METHODS AND COMPOSITIONS FOR TREATING CYTOKINE STORM INFECTIONS, INCLUDING COVID-19, BY INHIBITING CCR5/CCL5 INTERACTION INCELLDX, INC. (US) 2021-11-04 WO disclosed
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus YALE UNIVERSITY (US) 2021-10-05 US disclosed
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus YALE UNIVERSITY (US) 2021-10-05 US disclosed
WO-2021156451-A1 C-X-C MOTIF CHEMOKINE RECEPTOR 4 ANTAGONIST INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-08-12 WO disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
WO-2003082289-A1 PROCESS FOR THE PREPARATION OF ANTIVIRAL 7-AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-09 WO disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 US disclosed
WO-2003072028-A2 METHOD OF TREATING HIV INFECTION BY PREVENTING INTERACTION OF CD4 AND GP120 BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-04 WO disclosed
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 US disclosed
US-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 US disclosed
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 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 (8 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2D6 1648/4885CYP2C19 3101/4885CYP2C9 3477/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2D6 1648/4885CYP2C19 3101/4885CYP2C9 3477/4885
US-20140050793-A1 Novel Compositions for Inhibiting Virus Entry and Promoting Virolysis, and Methods Thereof ZC3HAV1, ZC3HAV1L, CPN1 CYP2D6 4766/4885CYP2C19 4709/4885CYP2C9 4560/4885
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use CD4, CD74, HAVCR2 CYP2D6 975/4885CYP2C19 1920/4885CYP2C9 1956/4885
US-11858917-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 CYP2D6 2810/4885CYP2C19 4511/4885CYP2C9 4606/4885
US-20220089579-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 CYP2D6 2810/4885CYP2C19 4511/4885CYP2C9 4606/4885
US-11136316-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the Human Immunodeficiency Virus CD4, HAVCR2, CD2 CYP2D6 2810/4885CYP2C19 4511/4885CYP2C9 4606/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2D6 1648/4885CYP2C19 3101/4885CYP2C9 3477/4885

“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.