SCHEMBL1763251

SCHEMBL1763251

FC(F)(F)C1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
SIGMAR1 Q99720 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MC4R P32245 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
DRD4 P21917 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
SCHEMBL8997506 0.83 MAPT (0.44) LMNASIGMAR1ALDH1A1KDM4EATM
SCHEMBL17593520 0.83 SIGMAR1 (0.48) LMNASIGMAR1MEN1KMT2AMC4R
SCHEMBL18425896 0.83 MC4R (0.51) LMNASIGMAR1ALDH1A1KDM4EATM
SCHEMBL2870584 0.81 ALDH1A1 (0.48) LMNASIGMAR1MEN1KMT2AALDH1A1
SCHEMBL29030905 0.80 GBA1 (0.46) LMNASIGMAR1ALDH1A1KDM4EATM
SCHEMBL2865983 0.80 ALDH1A1 (0.48) LMNASIGMAR1MEN1KMT2AALDH1A1
SCHEMBL13123416 0.79 SIGMAR1 (0.57) LMNASIGMAR1MEN1KMT2AALDH1A1
SCHEMBL18801726 0.78 TACR1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17805425 0.78 TACR1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13472134 0.77 AGTR2 (0.48) LMNASIGMAR1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-6573262-B2 Compounds for treating mammals infected with HIV virus BRISTOL-MYERS SQIBB COMPANY 2003-06-03 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-04-10 US disclosed
US-6469006-B1 PARTICULARLY FOR TREATING HIV INFECTIONS BRISTOL-MYERS SQUIBB COMPANY 2002-10-22 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO 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
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 LMNA 4721/4885SIGMAR1 969/4885MEN1 4759/4885
US-20030069245-A1 Composition and antiviral activity of substituted indoleoxoacetic piperazine derivatives IDO1, IDO2, ITPA LMNA 4635/4885SIGMAR1 688/4885MEN1 4871/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 LMNA 4765/4885SIGMAR1 844/4885MEN1 4800/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA LMNA 4744/4885SIGMAR1 1357/4885MEN1 4510/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 LMNA 4721/4885SIGMAR1 969/4885MEN1 4759/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 LMNA 4765/4885SIGMAR1 844/4885MEN1 4800/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP LMNA 4574/4885SIGMAR1 2229/4885MEN1 4793/4885

“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.