SCHEMBL2688694

SCHEMBL2688694

C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 1.00
CYP2D6 P10635 4/20 1.00
CYP2C9 P11712 4/20 1.00
CYP3A4 P08684 1/20 0.72
SMO Q99835 8/20 0.48
GHSR Q92847 1/20 0.47
HSD11B1 P28845 1/20 0.46
SLC6A7 Q99884 1/20 0.45
KMT2A Q03164 1/20 0.43
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL6436857 1.00 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6431889 1.00 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6432766 0.92 CYP2C19 (0.86) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL7641437 0.92 CYP2C19 (0.86) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6432411 0.88 CYP2C19 (0.79) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6432406 0.88 CYP2C19 (0.79) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6432408 0.88 CYP2C19 (0.79) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6431492 0.88 CYP2C19 (0.78) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6432338 0.88 CYP2C19 (0.78) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6431973 0.86 CYP2C19 (0.76) CYP2C19CYP2D6CYP2C9CYP3A4SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents VIIV HEALTHCARE UK (NO. 4) LIMITED 2022-06-28 US disclosed
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents VIIV HEALTHCARE UK (NO. 4) LIMITED 2022-06-28 US disclosed
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2021-01-28 US disclosed
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2021-01-28 US disclosed
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2020-02-13 US disclosed
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2020-02-13 US disclosed
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2019-04-18 US disclosed
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK NO 4 LTD (GB) 2019-04-18 US disclosed
US-10188727-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2019-01-29 US disclosed
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS VIIV HEALTHCARE UK (NO 4) LTD (GB) 2018-01-04 US disclosed
US-20040162298-A1 Method of treating HIV infection by preventing interaction of CD4 and gp120 BRISTOL-MYERS SQUIBB COMPANY 2004-08-19 US disclosed
US-20040023982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-02-05 US disclosed
US-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US 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 (11 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 CYP2C19 3101/4885CYP2D6 1648/4885CYP2C9 3477/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP2D6 1648/4885CYP2C9 3477/4885
US-20180000849-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP2D6 1880/4885CYP2C9 1503/4885
US-20190111066-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP2D6 1880/4885CYP2C9 1503/4885
US-20210023098-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS ZC3HAV1L, CCR5, CCRL2 CYP2C19 402/4885CYP2D6 2223/4885CYP2C9 1434/4885
US-20040162298-A1 Method of treating HIV infection by preventing interaction of CD4 and gp120 CD4, CD14, CD40LG CYP2C19 3885/4885CYP2D6 3249/4885CYP2C9 4016/4885
US-11369624-B2 Salts of prodrugs of piperazine and substituted piperidine antiviral agents CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP2D6 1880/4885CYP2C9 1503/4885
US-20200046743-A1 SALTS OF PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS CCR5, ZC3HAV1L, CCRL2 CYP2C19 435/4885CYP2D6 1880/4885CYP2C9 1503/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C19 3009/4885CYP2D6 1508/4885CYP2C9 3466/4885
US-10188727-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 CYP2C19 4656/4885CYP2D6 2709/4885CYP2C9 4639/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP2D6 1648/4885CYP2C9 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.