SCHEMBL1472955

SCHEMBL1472955

COc1cnc(-n2ccnn2)c2[nH]cc(C(=O)C(=O)O)c12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
MALT1 Q9UDY8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL12151902 0.91 CYP3A4 (0.46) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL12751903 0.85 CYP3A4 (0.52) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL9914915 0.84 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL1733111 0.83 NOTUM (0.33) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL2629066 0.82 CYP3A4 (0.75) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL1475113 0.82 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL2629219 0.82 CYP3A4 (0.49) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
Hydrochloric Acid SCHEMBL1473309 0.81 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
Hydrochloric Acid SCHEMBL1473009 0.81 CYP3A4 (0.52) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8
SCHEMBL14867758 0.81 CYP3A4 (0.64) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2895471-B1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK NO 5 LTD (GB) 2016-11-23 EP disclosed
EP-2646439-B1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
EP-2646439-B1 ALKYL AMIDES AS HIV ATTACHMENT INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
US-9193725-B2 Cyclic hydrazine derivatives as HIV attachment inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-11-24 US disclosed
US-9193725-B2 Cyclic hydrazine derivatives as HIV attachment inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2015-11-24 US disclosed
US-20150210684-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-07-30 US disclosed
US-20150210684-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-07-30 US disclosed
US-20150105394-A1 CYCLOLIC HYDRAZINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-04-16 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 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 (6 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-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CYP3A4 41/4885CYP2C9 520/4885CYP2D6 244/4885
US-20150105394-A1 CYCLOLIC HYDRAZINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS CD4, CCR5, VCAM1 CYP3A4 43/4885CYP2C9 115/4885CYP2D6 99/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CYP3A4 41/4885CYP2C9 520/4885CYP2D6 244/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS CYP3A4 1204/4885CYP2C9 3136/4885CYP2D6 1096/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS CYP3A4 1204/4885CYP2C9 3136/4885CYP2D6 1096/4885
US-20150210684-A1 PIPERIDINE AMIDE DERIVATIVES AS HIV ATTACHMENT INHIBITORS CD4, HDAC5, ITGA5 CYP3A4 1107/4885CYP2C9 2336/4885CYP2D6 3112/4885

“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.