SCHEMBL4247829

SCHEMBL4247829

O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(F)c12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 2/20 0.50
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2B6 P20813 1/20 0.45
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12151872 0.89 POLB (0.46) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL1732894 0.89 POLB (0.46) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL12151879 0.87 POLB (0.45) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL14883422 0.87 POLB (0.45) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL12151892 0.87 POLB (0.45) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL7652677 0.86 CYP2C9 (0.50) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL7651570 0.86 CYP2C9 (0.52) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL13899822 0.86 POLB (0.44) CYP2C9CYP2C19CYP2D6RAB9APOLB
SCHEMBL7657201 0.85 CYP2C19 (0.58) CYP2C9CYP2C19CYP2D6POLBKDM4E
SCHEMBL1733289 0.85 POLB (0.43) CYP2C9CYP2C19CYP2D6RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299382-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED INDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-09-21 EP claimed
EP-2978763-B1 2-KETO AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2018-03-07 EP disclosed
US-9655888-B2 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 US disclosed
US-9655888-B2 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 US disclosed
EP-2696937-B1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-05-17 EP disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 US disclosed
US-9586957-B2 2-keto amide derivatives as HIV attachment inhibitors VIIV Healthcare UK (No.5) Limited (GB) 2017-03-07 US disclosed
US-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 US disclosed
US-9505752-B2 Piperidine amide derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-11-29 US disclosed
EP-2895472-B1 Tricyclic alkene derivatives as HIV attachment inhibitors VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 EP disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
EP-1381366-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
US-6825201-B2 ANTIVIRAL ACTIVITY; TREATMENT OF HIV AND AIDS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
EP-1381366-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-21 EP disclosed
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-05-22 US disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 WO disclosed
US-6469006-B1 PARTICULARLY FOR TREATING HIV INFECTIONS BRISTOL-MYERS SQUIBB COMPANY 2002-10-22 US disclosed
EP-1105135-A4 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
EP-1105135-A1 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-13 EP disclosed
WO-2000076521-A1 ANTIVIRAL INDOLEOXOACETYL PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-21 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-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 CYP2C9 2045/4885CYP2C19 923/4885CYP2D6 455/4885
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT CYP2C9 1743/4885CYP2C19 703/4885CYP2D6 607/4885

“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.